REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2i0z_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHYDVIVIGG GPSGLMAAIG AAEEGANVLL LDKGNKLGRK LAISGGGRCN DATA SEQUENCE VTNRLPLDEI VKHIPGNGRF LYSAFSIFNN EDIITFFENL GVKLKEEDHG DATA SEQUENCE RMFPVSNKAQ SVVDALLTRL KDLGVKIRTN TPVETIEYEN GQTKAVILQT DATA SEQUENCE GEVLETNHVV IAVGGKSVPQ TGSTGDGYAW AEKAGHTITE LFPTEVPILS DATA SEQUENCE NEPFIRDRSL QGLALRDINL SVLNXXXXAI ISHKMDMLFT HFGLSGPAAL DATA SEQUENCE RCSQFVVKAL KKFKTNTIQM SIDALPEENS EQLFQRMLKQ MKEDPKKGIK DATA SEQUENCE NVLKGYVPER YFLFLLEKNE IDGSEQAGQV SHEKIRALVK DFKEFTVNVN DATA SEQUENCE GTQSIEKAFV TGGGVSVKEI NPKEMSSKFT NGLYFCGEVL DIHGYTGGYN DATA SEQUENCE ITSALVTGRI AGTTAGENAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.252 176.300 -0.081 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.607 32.600 0.011 0.000 1.302 2 H N 1.602 120.551 119.070 -0.203 0.000 2.387 2 H HA 0.023 4.605 4.556 0.043 0.000 0.299 2 H C -0.611 174.396 175.328 -0.535 0.000 1.090 2 H CA 2.282 58.057 56.048 -0.454 0.000 1.332 2 H CB 0.092 29.407 29.762 -0.745 0.000 1.386 2 H HN 0.489 nan 8.280 nan 0.000 0.516 3 Y N 0.352 120.719 120.300 0.112 0.000 2.331 3 Y HA 0.136 4.712 4.550 0.044 0.000 0.338 3 Y C 0.812 176.743 175.900 0.052 0.000 0.992 3 Y CA -0.997 57.141 58.100 0.063 0.000 1.121 3 Y CB 1.362 39.849 38.460 0.045 0.000 1.184 3 Y HN 0.016 nan 8.280 nan 0.000 0.469 4 D N 1.623 122.129 120.400 0.177 0.000 2.117 4 D HA -0.045 4.621 4.640 0.043 0.000 0.198 4 D C -0.088 176.295 176.300 0.139 0.000 0.982 4 D CA 1.420 55.489 54.000 0.116 0.000 0.828 4 D CB 0.361 41.184 40.800 0.038 0.000 0.967 4 D HN 0.177 nan 8.370 nan 0.000 0.464 5 V N 0.914 120.900 119.914 0.120 0.000 2.808 5 V HA 0.351 4.497 4.120 0.043 0.000 0.308 5 V C -0.392 175.730 176.094 0.048 0.000 1.099 5 V CA -0.725 61.628 62.300 0.087 0.000 0.920 5 V CB 2.888 34.708 31.823 -0.005 0.000 1.014 5 V HN -0.115 nan 8.190 nan 0.000 0.425 6 I N 4.066 124.650 120.570 0.024 0.000 2.362 6 I HA 0.493 4.689 4.170 0.043 0.000 0.289 6 I C -0.652 175.433 176.117 -0.053 0.000 0.994 6 I CA -0.839 60.424 61.300 -0.063 0.000 1.158 6 I CB 2.008 39.957 38.000 -0.084 0.000 1.315 6 I HN 0.272 nan 8.210 nan 0.000 0.451 7 V N 7.539 127.410 119.914 -0.073 0.000 2.394 7 V HA 0.400 4.546 4.120 0.043 0.000 0.282 7 V C 0.127 176.193 176.094 -0.047 0.000 1.031 7 V CA -0.453 61.819 62.300 -0.047 0.000 0.881 7 V CB 1.689 33.485 31.823 -0.046 0.000 0.982 7 V HN 0.469 nan 8.190 nan 0.000 0.451 8 I N 4.705 125.265 120.570 -0.016 0.000 2.306 8 I HA 0.719 4.916 4.170 0.043 0.000 0.288 8 I C 0.652 176.801 176.117 0.054 0.000 1.036 8 I CA 0.001 61.311 61.300 0.016 0.000 1.221 8 I CB 1.126 39.153 38.000 0.046 0.000 1.385 8 I HN 0.868 nan 8.210 nan 0.000 0.472 9 G N 3.546 112.364 108.800 0.031 0.000 3.187 9 G HA2 0.093 4.079 3.960 0.043 0.000 0.682 9 G HA3 0.093 4.079 3.960 0.043 0.000 0.682 9 G C -0.148 174.759 174.900 0.011 0.000 1.266 9 G CA -0.527 44.590 45.100 0.028 0.000 0.902 9 G HN 0.908 nan 8.290 nan 0.000 0.589 10 G N 0.643 109.448 108.800 0.009 0.000 4.291 10 G HA2 0.687 4.673 3.960 0.043 0.000 0.304 10 G HA3 0.687 4.673 3.960 0.043 0.000 0.304 10 G C 0.848 175.758 174.900 0.017 0.000 1.264 10 G CA 0.931 46.036 45.100 0.010 0.000 1.039 10 G HN 1.272 nan 8.290 nan 0.000 0.578 11 G N 0.726 109.535 108.800 0.015 0.000 2.535 11 G HA2 0.458 4.444 3.960 0.043 0.000 0.282 11 G HA3 0.458 4.444 3.960 0.043 0.000 0.282 11 G C -0.460 174.459 174.900 0.032 0.000 1.350 11 G CA -0.758 44.353 45.100 0.018 0.000 1.039 11 G HN 0.006 nan 8.290 nan 0.000 0.509 12 P HA -0.166 nan 4.420 nan 0.000 0.216 12 P C 2.117 179.443 177.300 0.043 0.000 1.150 12 P CA 2.300 65.439 63.100 0.065 0.000 0.837 12 P CB -0.052 31.689 31.700 0.070 0.000 0.786 13 S N -0.259 115.458 115.700 0.029 0.000 2.355 13 S HA -0.060 4.436 4.470 0.043 0.000 0.222 13 S C 2.464 177.066 174.600 0.003 0.000 1.031 13 S CA 1.394 59.605 58.200 0.018 0.000 0.993 13 S CB -2.035 61.184 63.200 0.031 0.000 0.859 13 S HN 0.213 nan 8.310 nan 0.000 0.453 14 G N 1.946 110.751 108.800 0.009 0.000 2.418 14 G HA2 -0.042 3.945 3.960 0.043 0.000 0.217 14 G HA3 -0.042 3.945 3.960 0.043 0.000 0.217 14 G C 1.502 176.397 174.900 -0.008 0.000 1.158 14 G CA 0.943 46.043 45.100 -0.000 0.000 0.771 14 G HN 0.496 nan 8.290 nan 0.000 0.545 15 L N -0.023 121.205 121.223 0.008 0.000 2.046 15 L HA -0.078 4.289 4.340 0.043 0.000 0.208 15 L C 3.083 179.951 176.870 -0.004 0.000 1.077 15 L CA 0.856 55.706 54.840 0.017 0.000 0.747 15 L CB -0.315 41.777 42.059 0.054 0.000 0.896 15 L HN 0.147 nan 8.230 nan 0.000 0.432 16 M N -0.696 118.885 119.600 -0.033 0.000 2.229 16 M HA -0.121 4.385 4.480 0.043 0.000 0.264 16 M C 2.547 178.769 176.300 -0.131 0.000 1.063 16 M CA 1.715 56.943 55.300 -0.120 0.000 1.114 16 M CB -1.207 31.276 32.600 -0.194 0.000 1.387 16 M HN 0.302 nan 8.290 nan 0.000 0.420 17 A N 0.359 123.123 122.820 -0.093 0.000 1.877 17 A HA 0.006 4.352 4.320 0.043 0.000 0.216 17 A C 2.442 179.970 177.584 -0.093 0.000 1.186 17 A CA 2.057 54.034 52.037 -0.100 0.000 0.620 17 A CB -0.894 18.064 19.000 -0.069 0.000 0.822 17 A HN 0.458 nan 8.150 nan 0.000 0.443 18 A N -0.083 122.700 122.820 -0.063 0.000 1.902 18 A HA -0.087 4.259 4.320 0.043 0.000 0.217 18 A C 2.133 179.690 177.584 -0.045 0.000 1.181 18 A CA 1.544 53.550 52.037 -0.052 0.000 0.623 18 A CB -0.614 18.364 19.000 -0.036 0.000 0.818 18 A HN 0.503 nan 8.150 nan 0.000 0.443 19 I N -0.380 120.170 120.570 -0.034 0.000 2.179 19 I HA -0.210 3.986 4.170 0.043 0.000 0.242 19 I C 2.761 178.850 176.117 -0.046 0.000 1.088 19 I CA 1.158 62.450 61.300 -0.012 0.000 1.357 19 I CB -0.762 37.270 38.000 0.053 0.000 1.051 19 I HN 0.401 nan 8.210 nan 0.000 0.409 20 G N 0.563 109.303 108.800 -0.099 0.000 2.476 20 G HA2 -0.299 3.687 3.960 0.043 0.000 0.218 20 G HA3 -0.299 3.687 3.960 0.043 0.000 0.218 20 G C 1.821 176.651 174.900 -0.117 0.000 1.164 20 G CA 1.000 46.018 45.100 -0.136 0.000 0.768 20 G HN 0.514 nan 8.290 nan 0.000 0.560 21 A N 0.877 123.628 122.820 -0.115 0.000 1.897 21 A HA 0.399 4.745 4.320 0.043 0.000 0.215 21 A C 2.775 180.313 177.584 -0.076 0.000 1.181 21 A CA 2.034 54.003 52.037 -0.113 0.000 0.620 21 A CB -0.640 18.289 19.000 -0.119 0.000 0.821 21 A HN 0.791 nan 8.150 nan 0.000 0.443 22 A N -0.228 122.560 122.820 -0.053 0.000 1.968 22 A HA -0.094 4.252 4.320 0.043 0.000 0.217 22 A C 1.845 179.410 177.584 -0.032 0.000 1.169 22 A CA 1.423 53.441 52.037 -0.032 0.000 0.638 22 A CB -0.422 18.567 19.000 -0.018 0.000 0.812 22 A HN 0.617 nan 8.150 nan 0.000 0.446 23 E N -0.135 120.043 120.200 -0.037 0.000 2.204 23 E HA -0.132 4.244 4.350 0.043 0.000 0.194 23 E C 1.170 177.747 176.600 -0.038 0.000 0.989 23 E CA 0.820 57.201 56.400 -0.032 0.000 0.824 23 E CB -0.017 29.666 29.700 -0.029 0.000 0.756 23 E HN 0.481 nan 8.360 nan 0.000 0.477 24 E N -0.441 119.728 120.200 -0.053 0.000 2.511 24 E HA -0.018 4.358 4.350 0.043 0.000 0.196 24 E C 1.100 177.671 176.600 -0.049 0.000 1.066 24 E CA 0.608 56.974 56.400 -0.057 0.000 0.871 24 E CB 0.593 30.245 29.700 -0.081 0.000 0.863 24 E HN 0.410 nan 8.360 nan 0.000 0.520 25 G N 0.794 109.571 108.800 -0.039 0.000 2.157 25 G HA2 -0.287 3.700 3.960 0.043 0.000 0.239 25 G HA3 -0.287 3.700 3.960 0.043 0.000 0.239 25 G C 0.507 175.391 174.900 -0.028 0.000 0.982 25 G CA 0.180 45.262 45.100 -0.029 0.000 0.650 25 G HN 0.515 nan 8.290 nan 0.000 0.527 26 A N -0.126 122.672 122.820 -0.036 0.000 2.371 26 A HA 0.592 4.938 4.320 0.043 0.000 0.257 26 A C 0.527 178.116 177.584 0.009 0.000 1.089 26 A CA 0.225 52.246 52.037 -0.027 0.000 0.794 26 A CB 0.298 19.266 19.000 -0.055 0.000 1.029 26 A HN 0.578 nan 8.150 nan 0.000 0.488 27 N N 1.617 120.340 118.700 0.038 0.000 2.411 27 N HA 0.372 5.138 4.740 0.043 0.000 0.259 27 N C -1.160 174.451 175.510 0.168 0.000 1.103 27 N CA -0.171 52.936 53.050 0.095 0.000 0.954 27 N CB 0.507 39.042 38.487 0.081 0.000 1.085 27 N HN 0.314 nan 8.380 nan 0.000 0.485 28 V N 4.130 124.125 119.914 0.135 0.000 2.555 28 V HA 0.413 4.559 4.120 0.043 0.000 0.302 28 V C -0.238 175.843 176.094 -0.021 0.000 1.038 28 V CA -0.906 61.429 62.300 0.059 0.000 0.887 28 V CB 1.615 33.436 31.823 -0.004 0.000 0.991 28 V HN 0.521 nan 8.190 nan 0.000 0.434 29 L N 5.409 126.497 121.223 -0.224 0.000 2.322 29 L HA 0.682 5.048 4.340 0.043 0.000 0.281 29 L C -0.880 175.843 176.870 -0.245 0.000 1.014 29 L CA -0.126 54.447 54.840 -0.444 0.000 0.815 29 L CB 1.411 42.830 42.059 -1.066 0.000 1.247 29 L HN 0.684 nan 8.230 nan 0.000 0.421 30 L N 5.735 126.854 121.223 -0.173 0.000 2.322 30 L HA 0.610 4.976 4.340 0.043 0.000 0.281 30 L C -1.379 175.425 176.870 -0.109 0.000 1.014 30 L CA -0.469 54.304 54.840 -0.111 0.000 0.815 30 L CB 1.276 43.297 42.059 -0.064 0.000 1.247 30 L HN 0.649 nan 8.230 nan 0.000 0.421 31 L N 4.719 125.888 121.223 -0.090 0.000 2.329 31 L HA 0.599 4.965 4.340 0.043 0.000 0.279 31 L C -0.854 175.998 176.870 -0.030 0.000 1.014 31 L CA -0.531 54.267 54.840 -0.070 0.000 0.814 31 L CB 1.826 43.835 42.059 -0.084 0.000 1.257 31 L HN 0.588 nan 8.230 nan 0.000 0.424 32 D N 1.465 121.854 120.400 -0.019 0.000 2.857 32 D HA 0.107 4.774 4.640 0.043 0.000 0.227 32 D C 0.160 176.463 176.300 0.004 0.000 1.192 32 D CA -0.479 53.521 54.000 -0.000 0.000 0.857 32 D CB 2.885 43.685 40.800 -0.001 0.000 1.645 32 D HN 0.491 nan 8.370 nan 0.000 0.482 33 K N 1.671 122.080 120.400 0.016 0.000 2.097 33 K HA -0.009 4.337 4.320 0.043 0.000 0.206 33 K C 0.963 177.568 176.600 0.008 0.000 1.049 33 K CA 1.078 57.374 56.287 0.016 0.000 0.933 33 K CB -0.225 32.288 32.500 0.021 0.000 0.717 33 K HN 0.374 nan 8.250 nan 0.000 0.442 34 G N -0.134 108.669 108.800 0.005 0.000 2.562 34 G HA2 -0.048 3.938 3.960 0.043 0.000 0.275 34 G HA3 -0.048 3.938 3.960 0.043 0.000 0.275 34 G C 0.046 174.948 174.900 0.003 0.000 1.196 34 G CA -0.449 44.654 45.100 0.004 0.000 0.908 34 G HN 0.309 nan 8.290 nan 0.000 0.524 35 N N -0.948 117.755 118.700 0.004 0.000 2.396 35 N HA -0.025 4.741 4.740 0.043 0.000 0.180 35 N C 0.497 176.010 175.510 0.005 0.000 1.028 35 N CA 0.966 54.018 53.050 0.004 0.000 0.893 35 N CB 0.043 38.533 38.487 0.004 0.000 0.967 35 N HN 0.419 nan 8.380 nan 0.000 0.440 36 K N -0.088 120.316 120.400 0.006 0.000 2.375 36 K HA 0.336 4.682 4.320 0.043 0.000 0.249 36 K C -0.852 175.754 176.600 0.010 0.000 0.942 36 K CA -0.768 55.524 56.287 0.009 0.000 0.806 36 K CB 2.321 34.828 32.500 0.012 0.000 1.227 36 K HN -0.037 nan 8.250 nan 0.000 0.430 37 L N 0.793 122.024 121.223 0.012 0.000 2.436 37 L HA 0.205 4.571 4.340 0.043 0.000 0.265 37 L C 1.204 178.086 176.870 0.020 0.000 1.168 37 L CA 0.386 55.234 54.840 0.014 0.000 0.815 37 L CB 0.494 42.563 42.059 0.017 0.000 1.109 37 L HN 1.037 nan 8.230 nan 0.000 0.462 38 G N 1.658 110.471 108.800 0.021 0.000 2.221 38 G HA2 -0.297 3.689 3.960 0.043 0.000 0.265 38 G HA3 -0.297 3.689 3.960 0.043 0.000 0.265 38 G C 1.062 175.974 174.900 0.021 0.000 1.041 38 G CA 0.596 45.712 45.100 0.025 0.000 0.807 38 G HN 0.807 nan 8.290 nan 0.000 0.502 39 R N -0.140 120.369 120.500 0.014 0.000 2.073 39 R HA -0.062 4.304 4.340 0.043 0.000 0.234 39 R C 2.571 178.879 176.300 0.014 0.000 1.134 39 R CA 1.724 57.832 56.100 0.013 0.000 0.952 39 R CB -0.207 30.099 30.300 0.009 0.000 0.850 39 R HN 0.502 nan 8.270 nan 0.000 0.433 40 K N 0.664 121.068 120.400 0.007 0.000 2.062 40 K HA -0.126 4.220 4.320 0.043 0.000 0.205 40 K C 2.043 178.650 176.600 0.011 0.000 1.051 40 K CA 0.805 57.095 56.287 0.004 0.000 0.941 40 K CB -0.074 32.417 32.500 -0.014 0.000 0.719 40 K HN -0.005 nan 8.250 nan 0.000 0.440 41 L N 1.300 122.531 121.223 0.013 0.000 2.042 41 L HA -0.138 4.228 4.340 0.043 0.000 0.210 41 L C 2.179 179.064 176.870 0.025 0.000 1.076 41 L CA 2.122 56.973 54.840 0.019 0.000 0.749 41 L CB -0.752 41.325 42.059 0.029 0.000 0.893 41 L HN 0.258 nan 8.230 nan 0.000 0.432 42 A N -0.362 122.474 122.820 0.027 0.000 2.019 42 A HA -0.133 4.213 4.320 0.043 0.000 0.219 42 A C 2.124 179.729 177.584 0.036 0.000 1.164 42 A CA 1.752 53.807 52.037 0.030 0.000 0.644 42 A CB -0.971 18.046 19.000 0.028 0.000 0.805 42 A HN 0.699 nan 8.150 nan 0.000 0.449 43 I N -2.136 118.457 120.570 0.038 0.000 3.860 43 I HA 0.134 4.330 4.170 0.043 0.000 0.319 43 I C 0.970 177.128 176.117 0.069 0.000 1.279 43 I CA 0.309 61.639 61.300 0.050 0.000 1.220 43 I CB -0.209 37.819 38.000 0.046 0.000 1.027 43 I HN 0.198 nan 8.210 nan 0.000 0.428 44 S N 1.427 117.165 115.700 0.064 0.000 2.576 44 S HA 0.349 4.845 4.470 0.043 0.000 0.272 44 S C 1.263 175.932 174.600 0.116 0.000 1.352 44 S CA 0.153 58.404 58.200 0.085 0.000 1.021 44 S CB 0.536 63.765 63.200 0.048 0.000 0.887 44 S HN 0.994 nan 8.310 nan 0.000 0.542 45 G N 0.851 109.745 108.800 0.158 0.000 2.356 45 G HA2 0.149 4.135 3.960 0.043 0.000 0.296 45 G HA3 0.149 4.135 3.960 0.043 0.000 0.296 45 G C 1.087 176.124 174.900 0.229 0.000 1.022 45 G CA 0.459 45.701 45.100 0.237 0.000 0.961 45 G HN 2.459 nan 8.290 nan 0.000 0.510 46 G N -1.359 107.533 108.800 0.153 0.000 2.283 46 G HA2 0.233 4.219 3.960 0.043 0.000 0.280 46 G HA3 0.233 4.219 3.960 0.043 0.000 0.280 46 G C 1.985 176.934 174.900 0.082 0.000 1.029 46 G CA 0.913 46.074 45.100 0.102 0.000 0.840 46 G HN 2.674 nan 8.290 nan 0.000 0.505 47 G N -1.526 107.327 108.800 0.089 0.000 2.176 47 G HA2 -0.294 3.692 3.960 0.043 0.000 0.253 47 G HA3 -0.294 3.692 3.960 0.043 0.000 0.253 47 G C 1.067 176.014 174.900 0.078 0.000 0.979 47 G CA 1.103 46.244 45.100 0.068 0.000 0.641 47 G HN 0.964 nan 8.290 nan 0.000 0.530 48 R N -1.027 119.550 120.500 0.128 0.000 2.254 48 R HA 0.398 4.765 4.340 0.043 0.000 0.193 48 R C 1.167 177.611 176.300 0.239 0.000 0.929 48 R CA 0.397 56.603 56.100 0.178 0.000 1.038 48 R CB 0.258 30.660 30.300 0.170 0.000 1.009 48 R HN 1.015 nan 8.270 nan 0.000 0.512 49 C N 2.746 122.157 119.300 0.184 0.000 2.157 49 C HA -0.151 4.335 4.460 0.043 0.000 0.262 49 C C 0.079 174.948 174.990 -0.202 0.000 0.824 49 C CA -0.425 58.608 59.018 0.025 0.000 2.971 49 C CB -2.106 25.612 27.740 -0.037 0.000 1.707 49 C HN 0.736 nan 8.230 nan 0.000 0.332 50 N N 3.814 122.265 118.700 -0.416 0.000 2.466 50 N HA 0.316 5.082 4.740 0.043 0.000 0.263 50 N C 0.840 176.054 175.510 -0.493 0.000 1.178 50 N CA 0.220 52.688 53.050 -0.969 0.000 0.983 50 N CB 0.741 38.805 38.487 -0.705 0.000 1.331 50 N HN 0.717 nan 8.380 nan 0.000 0.500 51 V N 2.474 122.115 119.914 -0.454 0.000 3.052 51 V HA 0.054 4.200 4.120 0.043 0.000 0.254 51 V C 0.776 176.753 176.094 -0.195 0.000 1.100 51 V CA 1.333 63.463 62.300 -0.284 0.000 1.112 51 V CB 0.168 31.767 31.823 -0.374 0.000 0.738 51 V HN 0.754 nan 8.190 nan 0.000 0.469 52 T N -1.210 113.196 114.554 -0.247 0.000 2.653 52 T HA 0.284 4.660 4.350 0.043 0.000 0.306 52 T C -1.949 172.574 174.700 -0.296 0.000 1.426 52 T CA -0.548 61.427 62.100 -0.208 0.000 1.008 52 T CB 1.434 70.241 68.868 -0.102 0.000 1.692 52 T HN 0.249 nan 8.240 nan 0.000 0.483 53 N N 0.660 119.187 118.700 -0.288 0.000 2.310 53 N HA 0.391 5.157 4.740 0.043 0.000 0.292 53 N C -0.186 175.217 175.510 -0.177 0.000 1.049 53 N CA -0.431 52.437 53.050 -0.304 0.000 0.849 53 N CB 2.205 40.349 38.487 -0.571 0.000 1.532 53 N HN 0.602 nan 8.380 nan 0.000 0.479 54 R N 2.418 122.846 120.500 -0.120 0.000 2.317 54 R HA 0.307 4.673 4.340 0.043 0.000 0.208 54 R C 0.359 176.625 176.300 -0.057 0.000 0.914 54 R CA -0.209 55.842 56.100 -0.083 0.000 1.060 54 R CB 0.227 30.493 30.300 -0.056 0.000 1.015 54 R HN 0.535 nan 8.270 nan 0.000 0.498 55 L N 2.727 123.926 121.223 -0.040 0.000 2.503 55 L HA 0.040 4.406 4.340 0.043 0.000 0.287 55 L C -1.800 175.062 176.870 -0.013 0.000 1.252 55 L CA -1.375 53.464 54.840 -0.002 0.000 0.835 55 L CB -0.008 42.073 42.059 0.037 0.000 1.099 55 L HN -0.004 nan 8.230 nan 0.000 0.516 56 P HA -0.059 nan 4.420 nan 0.000 0.270 56 P C 0.584 177.885 177.300 0.002 0.000 1.223 56 P CA -0.404 62.697 63.100 0.001 0.000 0.785 56 P CB 0.661 32.376 31.700 0.026 0.000 0.923 57 L N 1.996 123.210 121.223 -0.014 0.000 2.030 57 L HA -0.271 4.095 4.340 0.043 0.000 0.222 57 L C 1.536 178.453 176.870 0.078 0.000 1.082 57 L CA 2.326 57.161 54.840 -0.007 0.000 0.785 57 L CB -1.433 40.675 42.059 0.080 0.000 0.895 57 L HN 0.223 nan 8.230 nan 0.000 0.439 58 D N -0.610 119.870 120.400 0.132 0.000 2.178 58 D HA -0.146 4.520 4.640 0.043 0.000 0.202 58 D C 2.156 178.536 176.300 0.134 0.000 0.974 58 D CA 1.428 55.532 54.000 0.174 0.000 0.841 58 D CB -0.057 40.838 40.800 0.159 0.000 0.953 58 D HN 0.604 nan 8.370 nan 0.000 0.478 59 E N 0.118 120.393 120.200 0.124 0.000 2.107 59 E HA -0.095 4.281 4.350 0.043 0.000 0.191 59 E C 2.080 178.806 176.600 0.209 0.000 0.982 59 E CA 0.292 56.800 56.400 0.180 0.000 0.809 59 E CB 0.157 29.956 29.700 0.166 0.000 0.756 59 E HN 0.214 nan 8.360 nan 0.000 0.459 60 I N 1.016 121.662 120.570 0.125 0.000 2.127 60 I HA -0.231 3.965 4.170 0.043 0.000 0.241 60 I C 2.473 178.645 176.117 0.092 0.000 1.075 60 I CA 1.143 62.527 61.300 0.139 0.000 1.334 60 I CB -1.183 36.807 38.000 -0.016 0.000 1.040 60 I HN 0.008 nan 8.210 nan 0.000 0.405 61 V N 1.030 120.979 119.914 0.059 0.000 2.343 61 V HA -0.232 3.914 4.120 0.043 0.000 0.247 61 V C 2.547 178.637 176.094 -0.007 0.000 1.051 61 V CA 1.473 63.772 62.300 -0.002 0.000 1.036 61 V CB -0.645 31.061 31.823 -0.196 0.000 0.654 61 V HN 0.332 nan 8.190 nan 0.000 0.451 62 K N -0.402 120.019 120.400 0.035 0.000 2.211 62 K HA -0.161 4.185 4.320 0.043 0.000 0.204 62 K C 1.731 178.279 176.600 -0.087 0.000 1.047 62 K CA 1.401 57.689 56.287 0.002 0.000 0.935 62 K CB -0.528 31.987 32.500 0.026 0.000 0.728 62 K HN 0.594 nan 8.250 nan 0.000 0.452 63 H N -0.882 118.068 119.070 -0.200 0.000 2.526 63 H HA 0.269 4.863 4.556 0.063 0.000 0.274 63 H C -0.061 174.991 175.328 -0.460 0.000 0.999 63 H CA 0.098 55.928 56.048 -0.363 0.000 1.157 63 H CB 0.103 29.174 29.762 -1.153 0.000 1.407 63 H HN -0.033 nan 8.280 nan 0.000 0.568 64 I N 2.386 122.819 120.570 -0.229 0.000 2.557 64 I HA 0.141 4.337 4.170 0.043 0.000 0.277 64 I C -1.718 174.211 176.117 -0.315 0.000 1.106 64 I CA -1.523 59.632 61.300 -0.240 0.000 1.180 64 I CB 1.843 39.809 38.000 -0.056 0.000 1.392 64 I HN 0.017 nan 8.210 nan 0.000 0.506 65 P HA -0.058 nan 4.420 nan 0.000 0.221 65 P C 0.926 178.019 177.300 -0.345 0.000 1.150 65 P CA 0.699 63.578 63.100 -0.367 0.000 0.800 65 P CB 0.245 31.706 31.700 -0.398 0.000 0.787 66 G N 1.533 109.925 108.800 -0.680 0.000 2.621 66 G HA2 0.088 4.074 3.960 0.043 0.000 0.306 66 G HA3 0.088 4.074 3.960 0.043 0.000 0.306 66 G C 0.118 174.928 174.900 -0.150 0.000 0.893 66 G CA -0.297 44.586 45.100 -0.360 0.000 1.486 66 G HN 0.081 nan 8.290 nan 0.000 0.477 67 N N 0.883 119.545 118.700 -0.063 0.000 2.747 67 N HA -0.182 4.584 4.740 0.043 0.000 0.249 67 N C 1.690 177.215 175.510 0.025 0.000 1.107 67 N CA 1.000 54.047 53.050 -0.005 0.000 0.707 67 N CB -1.048 37.417 38.487 -0.037 0.000 1.054 67 N HN 0.700 nan 8.380 nan 0.000 0.555 68 G N 0.260 109.042 108.800 -0.032 0.000 2.450 68 G HA2 -0.274 3.712 3.960 0.043 0.000 0.220 68 G HA3 -0.274 3.712 3.960 0.043 0.000 0.220 68 G C 1.575 176.427 174.900 -0.080 0.000 1.130 68 G CA 0.991 46.065 45.100 -0.043 0.000 0.760 68 G HN 0.454 nan 8.290 nan 0.000 0.557 69 R N -0.846 119.650 120.500 -0.007 0.000 2.115 69 R HA -0.009 4.357 4.340 0.043 0.000 0.230 69 R C 2.221 178.582 176.300 0.102 0.000 1.111 69 R CA 0.898 57.030 56.100 0.052 0.000 0.976 69 R CB -0.486 29.928 30.300 0.190 0.000 0.870 69 R HN 0.451 nan 8.270 nan 0.000 0.445 70 F N 1.485 121.410 119.950 -0.041 0.000 2.236 70 F HA -0.181 4.367 4.527 0.035 0.000 0.302 70 F C 1.522 177.250 175.800 -0.120 0.000 1.073 70 F CA 1.378 59.348 58.000 -0.050 0.000 1.336 70 F CB -0.032 38.932 39.000 -0.059 0.000 1.040 70 F HN -0.063 nan 8.300 nan 0.000 0.507 71 L N -1.143 119.888 121.223 -0.320 0.000 2.554 71 L HA -0.124 4.242 4.340 0.043 0.000 0.226 71 L C 1.869 178.373 176.870 -0.611 0.000 1.137 71 L CA 0.201 54.633 54.840 -0.681 0.000 0.863 71 L CB -0.853 40.644 42.059 -0.937 0.000 0.985 71 L HN 0.183 nan 8.230 nan 0.000 0.451 72 Y N 0.359 120.525 120.300 -0.223 0.000 2.114 72 Y HA -0.362 4.199 4.550 0.018 0.000 0.282 72 Y C 2.924 178.771 175.900 -0.088 0.000 1.165 72 Y CA 1.794 59.866 58.100 -0.048 0.000 1.148 72 Y CB -0.137 38.325 38.460 0.003 0.000 0.972 72 Y HN 0.178 nan 8.280 nan 0.000 0.504 73 S N -0.144 115.538 115.700 -0.030 0.000 2.359 73 S HA -0.289 4.207 4.470 0.043 0.000 0.224 73 S C 2.278 176.828 174.600 -0.083 0.000 1.035 73 S CA 1.036 59.195 58.200 -0.067 0.000 1.018 73 S CB -0.786 62.331 63.200 -0.140 0.000 0.876 73 S HN 0.552 nan 8.310 nan 0.000 0.448 74 A N 1.219 123.902 122.820 -0.230 0.000 1.883 74 A HA -0.081 4.265 4.320 0.043 0.000 0.217 74 A C 1.923 179.522 177.584 0.024 0.000 1.186 74 A CA 1.487 53.420 52.037 -0.173 0.000 0.624 74 A CB -1.133 17.659 19.000 -0.348 0.000 0.822 74 A HN 0.554 nan 8.150 nan 0.000 0.444 75 F N 0.634 120.593 119.950 0.014 0.000 2.269 75 F HA -0.176 4.367 4.527 0.027 0.000 0.301 75 F C 2.685 178.512 175.800 0.045 0.000 1.082 75 F CA 0.725 58.743 58.000 0.030 0.000 1.360 75 F CB -0.080 38.931 39.000 0.018 0.000 1.041 75 F HN 0.176 nan 8.300 nan 0.000 0.512 76 S N 0.639 116.474 115.700 0.226 0.000 2.399 76 S HA -0.137 4.360 4.470 0.043 0.000 0.231 76 S C 1.786 176.459 174.600 0.122 0.000 1.022 76 S CA 1.099 59.385 58.200 0.144 0.000 0.983 76 S CB -0.276 62.984 63.200 0.100 0.000 0.803 76 S HN 0.316 nan 8.310 nan 0.000 0.480 77 I N -1.335 119.316 120.570 0.136 0.000 2.429 77 I HA 0.175 4.371 4.170 0.043 0.000 0.247 77 I C 0.186 176.453 176.117 0.250 0.000 1.099 77 I CA 0.729 62.117 61.300 0.148 0.000 1.422 77 I CB 0.222 38.288 38.000 0.110 0.000 1.112 77 I HN 0.160 nan 8.210 nan 0.000 0.430 78 F N 2.361 122.359 119.950 0.079 0.000 2.653 78 F HA 0.335 4.889 4.527 0.044 0.000 0.327 78 F C -0.687 175.212 175.800 0.165 0.000 1.195 78 F CA -1.088 56.956 58.000 0.073 0.000 0.993 78 F CB 0.787 39.796 39.000 0.015 0.000 1.259 78 F HN 0.009 nan 8.300 nan 0.000 0.478 79 N N 3.311 121.855 118.700 -0.261 0.000 3.091 79 N HA 0.260 5.026 4.740 0.043 0.000 0.329 79 N C 0.449 175.733 175.510 -0.377 0.000 1.430 79 N CA -0.370 52.564 53.050 -0.193 0.000 0.755 79 N CB 0.061 38.443 38.487 -0.175 0.000 1.626 79 N HN 0.467 nan 8.380 nan 0.000 0.614 80 N N 0.154 118.640 118.700 -0.356 0.000 2.061 80 N HA -0.226 4.540 4.740 0.043 0.000 0.193 80 N C 0.761 176.143 175.510 -0.212 0.000 1.030 80 N CA 1.556 54.451 53.050 -0.260 0.000 0.856 80 N CB -0.577 37.764 38.487 -0.243 0.000 1.023 80 N HN 0.601 nan 8.380 nan 0.000 0.424 81 E N 0.658 120.739 120.200 -0.199 0.000 2.110 81 E HA -0.122 4.254 4.350 0.043 0.000 0.193 81 E C 1.213 177.716 176.600 -0.162 0.000 0.988 81 E CA 0.855 57.173 56.400 -0.137 0.000 0.804 81 E CB -0.263 29.377 29.700 -0.101 0.000 0.745 81 E HN 0.495 nan 8.360 nan 0.000 0.458 82 D N 0.687 120.898 120.400 -0.314 0.000 2.144 82 D HA -0.092 4.574 4.640 0.043 0.000 0.200 82 D C 2.148 178.204 176.300 -0.407 0.000 0.978 82 D CA 0.525 54.262 54.000 -0.440 0.000 0.833 82 D CB -0.197 40.069 40.800 -0.890 0.000 0.961 82 D HN 0.207 nan 8.370 nan 0.000 0.470 83 I N 0.865 121.155 120.570 -0.466 0.000 2.163 83 I HA -0.269 3.927 4.170 0.043 0.000 0.243 83 I C 2.401 178.656 176.117 0.230 0.000 1.085 83 I CA 0.866 62.149 61.300 -0.028 0.000 1.347 83 I CB -0.178 37.847 38.000 0.041 0.000 1.044 83 I HN -0.043 nan 8.210 nan 0.000 0.408 84 I N 0.171 120.807 120.570 0.111 0.000 2.163 84 I HA -0.298 3.898 4.170 0.043 0.000 0.243 84 I C 2.535 178.755 176.117 0.171 0.000 1.085 84 I CA 1.679 63.070 61.300 0.151 0.000 1.347 84 I CB -0.678 37.351 38.000 0.048 0.000 1.044 84 I HN 0.236 nan 8.210 nan 0.000 0.408 85 T N 0.869 115.490 114.554 0.111 0.000 2.746 85 T HA -0.219 4.157 4.350 0.043 0.000 0.267 85 T C 1.701 176.488 174.700 0.146 0.000 1.039 85 T CA 1.516 63.679 62.100 0.105 0.000 1.142 85 T CB -0.517 68.394 68.868 0.072 0.000 0.866 85 T HN 0.286 nan 8.240 nan 0.000 0.444 86 F N 1.028 120.999 119.950 0.035 0.000 2.065 86 F HA -0.140 4.414 4.527 0.045 0.000 0.298 86 F C 1.799 177.531 175.800 -0.113 0.000 1.112 86 F CA 1.422 59.405 58.000 -0.028 0.000 1.212 86 F CB -0.480 38.519 39.000 -0.002 0.000 0.975 86 F HN 0.119 nan 8.300 nan 0.000 0.476 87 F N 0.650 120.753 119.950 0.255 0.000 2.146 87 F HA -0.140 4.412 4.527 0.041 0.000 0.298 87 F C 2.438 178.242 175.800 0.006 0.000 1.096 87 F CA 1.625 59.691 58.000 0.110 0.000 1.275 87 F CB -0.701 38.394 39.000 0.158 0.000 1.008 87 F HN -0.031 nan 8.300 nan 0.000 0.480 88 E N 0.275 120.588 120.200 0.190 0.000 2.070 88 E HA -0.260 4.116 4.350 0.043 0.000 0.197 88 E C 1.961 178.575 176.600 0.022 0.000 1.004 88 E CA 1.444 57.899 56.400 0.092 0.000 0.805 88 E CB -0.239 29.503 29.700 0.070 0.000 0.744 88 E HN 0.360 nan 8.360 nan 0.000 0.451 89 N N 0.280 118.958 118.700 -0.036 0.000 2.223 89 N HA -0.130 4.636 4.740 0.043 0.000 0.185 89 N C 1.450 176.879 175.510 -0.134 0.000 1.016 89 N CA 0.787 53.779 53.050 -0.096 0.000 0.863 89 N CB 0.019 38.422 38.487 -0.140 0.000 0.983 89 N HN 0.210 nan 8.380 nan 0.000 0.429 90 L N 0.143 121.260 121.223 -0.177 0.000 2.645 90 L HA 0.125 4.492 4.340 0.043 0.000 0.235 90 L C 1.099 177.960 176.870 -0.016 0.000 1.150 90 L CA 0.039 54.797 54.840 -0.137 0.000 0.911 90 L CB -0.417 41.524 42.059 -0.197 0.000 1.077 90 L HN 0.151 nan 8.230 nan 0.000 0.438 91 G N 0.434 109.237 108.800 0.005 0.000 2.147 91 G HA2 -0.240 3.746 3.960 0.043 0.000 0.244 91 G HA3 -0.240 3.746 3.960 0.043 0.000 0.244 91 G C 0.020 174.954 174.900 0.057 0.000 1.005 91 G CA 0.015 45.130 45.100 0.026 0.000 0.713 91 G HN 0.158 nan 8.290 nan 0.000 0.515 92 V N 0.687 120.662 119.914 0.102 0.000 2.293 92 V HA 0.483 4.629 4.120 0.043 0.000 0.275 92 V C 0.478 176.635 176.094 0.104 0.000 1.021 92 V CA -0.907 61.460 62.300 0.111 0.000 0.815 92 V CB 1.421 33.345 31.823 0.167 0.000 1.025 92 V HN 0.381 nan 8.190 nan 0.000 0.448 93 K N 5.030 125.468 120.400 0.063 0.000 2.298 93 K HA 0.547 4.893 4.320 0.043 0.000 0.280 93 K C -0.696 175.929 176.600 0.042 0.000 1.032 93 K CA 0.025 56.345 56.287 0.054 0.000 0.958 93 K CB 0.600 33.122 32.500 0.037 0.000 0.978 93 K HN 0.578 nan 8.250 nan 0.000 0.472 94 L N 3.821 125.071 121.223 0.044 0.000 2.352 94 L HA 0.571 4.937 4.340 0.043 0.000 0.269 94 L C -0.190 176.701 176.870 0.036 0.000 1.034 94 L CA -1.023 53.835 54.840 0.029 0.000 0.806 94 L CB 1.608 43.673 42.059 0.011 0.000 1.244 94 L HN 0.683 nan 8.230 nan 0.000 0.447 95 K N -0.164 120.268 120.400 0.053 0.000 2.435 95 K HA 0.561 4.907 4.320 0.043 0.000 0.251 95 K C -1.276 175.369 176.600 0.076 0.000 0.954 95 K CA -0.907 55.412 56.287 0.053 0.000 0.820 95 K CB 2.586 35.114 32.500 0.046 0.000 1.292 95 K HN 0.451 nan 8.250 nan 0.000 0.436 96 E N 1.552 121.782 120.200 0.050 0.000 2.175 96 E HA 0.130 4.507 4.350 0.043 0.000 0.278 96 E C -0.767 175.869 176.600 0.059 0.000 0.969 96 E CA -0.324 56.108 56.400 0.053 0.000 0.796 96 E CB 1.151 30.860 29.700 0.016 0.000 1.104 96 E HN 0.651 nan 8.360 nan 0.000 0.395 97 E N 2.342 122.603 120.200 0.101 0.000 3.371 97 E HA 0.091 4.467 4.350 0.043 0.000 0.263 97 E C -0.590 176.022 176.600 0.020 0.000 0.652 97 E CA -0.753 55.684 56.400 0.063 0.000 1.779 97 E CB 0.185 29.945 29.700 0.100 0.000 1.956 97 E HN 0.619 nan 8.360 nan 0.000 0.401 98 D N 0.594 121.000 120.400 0.010 0.000 2.339 98 D HA -0.013 4.653 4.640 0.043 0.000 0.245 98 D C -0.072 176.210 176.300 -0.029 0.000 1.115 98 D CA -0.043 53.888 54.000 -0.114 0.000 0.917 98 D CB 0.421 41.145 40.800 -0.126 0.000 1.192 98 D HN 0.475 nan 8.370 nan 0.000 0.428 99 H N 0.618 119.708 119.070 0.033 0.000 2.776 99 H HA -0.189 4.394 4.556 0.045 0.000 0.300 99 H C 1.456 176.784 175.328 -0.001 0.000 1.161 99 H CA 1.091 57.157 56.048 0.030 0.000 1.147 99 H CB -1.692 28.101 29.762 0.052 0.000 1.366 99 H HN 0.954 nan 8.280 nan 0.000 0.397 100 G N -0.258 108.570 108.800 0.047 0.000 2.179 100 G HA2 -0.368 3.618 3.960 0.043 0.000 0.260 100 G HA3 -0.368 3.618 3.960 0.043 0.000 0.260 100 G C 0.485 175.359 174.900 -0.043 0.000 0.977 100 G CA 0.351 45.448 45.100 -0.004 0.000 0.641 100 G HN 0.555 nan 8.290 nan 0.000 0.533 101 R N 0.324 120.822 120.500 -0.002 0.000 2.449 101 R HA 0.417 4.783 4.340 0.043 0.000 0.296 101 R C 0.622 176.904 176.300 -0.031 0.000 1.047 101 R CA 0.244 56.311 56.100 -0.055 0.000 1.018 101 R CB 0.257 30.620 30.300 0.104 0.000 0.962 101 R HN 0.178 nan 8.270 nan 0.000 0.428 102 M N 3.993 123.470 119.600 -0.205 0.000 2.300 102 M HA 0.408 4.914 4.480 0.043 0.000 0.348 102 M C -0.718 175.380 176.300 -0.336 0.000 1.151 102 M CA -0.345 54.872 55.300 -0.139 0.000 1.046 102 M CB 0.998 33.517 32.600 -0.135 0.000 1.647 102 M HN 0.395 nan 8.290 nan 0.000 0.451 103 F N 2.504 122.411 119.950 -0.071 0.000 2.599 103 F HA 0.579 5.132 4.527 0.045 0.000 0.311 103 F C -2.058 173.695 175.800 -0.079 0.000 1.076 103 F CA -1.831 56.123 58.000 -0.075 0.000 0.937 103 F CB 1.818 40.788 39.000 -0.051 0.000 1.282 103 F HN 0.362 nan 8.300 nan 0.000 0.460 104 P HA 0.044 nan 4.420 nan 0.000 0.268 104 P C 0.799 178.136 177.300 0.062 0.000 1.205 104 P CA 0.120 63.241 63.100 0.034 0.000 0.771 104 P CB 1.027 32.727 31.700 -0.001 0.000 0.858 105 V N 2.592 122.529 119.914 0.038 0.000 2.380 105 V HA -0.275 3.871 4.120 0.043 0.000 0.251 105 V C 2.537 178.640 176.094 0.015 0.000 1.063 105 V CA 2.845 65.160 62.300 0.025 0.000 1.055 105 V CB -1.556 30.279 31.823 0.020 0.000 0.657 105 V HN 0.735 nan 8.190 nan 0.000 0.455 106 S N -0.476 115.235 115.700 0.018 0.000 2.469 106 S HA -0.227 4.269 4.470 0.043 0.000 0.238 106 S C 1.149 175.755 174.600 0.009 0.000 0.998 106 S CA 0.929 59.136 58.200 0.013 0.000 0.957 106 S CB -0.546 62.664 63.200 0.016 0.000 0.764 106 S HN 0.684 nan 8.310 nan 0.000 0.514 107 N N 0.664 119.374 118.700 0.017 0.000 2.708 107 N HA -0.132 4.634 4.740 0.043 0.000 0.251 107 N C -0.977 174.549 175.510 0.026 0.000 1.123 107 N CA 1.239 54.295 53.050 0.009 0.000 0.739 107 N CB -1.275 37.191 38.487 -0.034 0.000 1.113 107 N HN 0.672 nan 8.380 nan 0.000 0.561 108 K N -0.373 120.048 120.400 0.035 0.000 2.545 108 K HA 0.575 4.921 4.320 0.043 0.000 0.252 108 K C 0.866 177.486 176.600 0.034 0.000 0.948 108 K CA 0.089 56.395 56.287 0.033 0.000 0.827 108 K CB 1.304 33.817 32.500 0.022 0.000 1.128 108 K HN 0.042 nan 8.250 nan 0.000 0.429 109 A N 2.172 125.017 122.820 0.042 0.000 1.948 109 A HA -0.252 4.094 4.320 0.043 0.000 0.220 109 A C 2.025 179.623 177.584 0.022 0.000 1.177 109 A CA 1.700 53.754 52.037 0.029 0.000 0.636 109 A CB -0.277 18.747 19.000 0.040 0.000 0.815 109 A HN 0.737 nan 8.150 nan 0.000 0.449 110 Q N 0.276 120.093 119.800 0.027 0.000 2.170 110 Q HA -0.097 4.269 4.340 0.043 0.000 0.203 110 Q C 2.187 178.207 176.000 0.033 0.000 0.976 110 Q CA 1.837 57.658 55.803 0.029 0.000 0.858 110 Q CB -0.515 28.238 28.738 0.027 0.000 0.907 110 Q HN 0.631 nan 8.270 nan 0.000 0.433 111 S N -1.074 114.642 115.700 0.027 0.000 2.370 111 S HA -0.143 4.353 4.470 0.043 0.000 0.226 111 S C 1.860 176.488 174.600 0.046 0.000 1.033 111 S CA 1.310 59.529 58.200 0.032 0.000 1.011 111 S CB -0.365 62.847 63.200 0.021 0.000 0.852 111 S HN 0.256 nan 8.310 nan 0.000 0.457 112 V N 1.368 121.292 119.914 0.017 0.000 2.270 112 V HA -0.122 4.024 4.120 0.043 0.000 0.245 112 V C 2.344 178.518 176.094 0.134 0.000 1.043 112 V CA 1.372 63.687 62.300 0.025 0.000 1.014 112 V CB -0.750 31.004 31.823 -0.114 0.000 0.645 112 V HN 0.336 nan 8.190 nan 0.000 0.447 113 V N 0.378 120.344 119.914 0.087 0.000 2.287 113 V HA -0.294 3.852 4.120 0.043 0.000 0.248 113 V C 2.306 178.456 176.094 0.092 0.000 1.053 113 V CA 2.331 64.686 62.300 0.091 0.000 1.027 113 V CB -0.779 31.079 31.823 0.058 0.000 0.646 113 V HN 0.554 nan 8.190 nan 0.000 0.447 114 D N 0.335 120.780 120.400 0.075 0.000 2.117 114 D HA -0.126 4.540 4.640 0.043 0.000 0.197 114 D C 2.234 178.579 176.300 0.076 0.000 0.987 114 D CA 1.666 55.704 54.000 0.063 0.000 0.829 114 D CB -0.411 40.417 40.800 0.047 0.000 0.961 114 D HN 0.447 nan 8.370 nan 0.000 0.460 115 A N 0.578 123.464 122.820 0.109 0.000 1.902 115 A HA -0.135 4.211 4.320 0.043 0.000 0.217 115 A C 2.392 180.044 177.584 0.113 0.000 1.181 115 A CA 0.999 53.108 52.037 0.120 0.000 0.623 115 A CB -0.752 18.370 19.000 0.202 0.000 0.818 115 A HN 0.213 nan 8.150 nan 0.000 0.443 116 L N -0.779 120.546 121.223 0.170 0.000 2.056 116 L HA -0.122 4.245 4.340 0.043 0.000 0.207 116 L C 2.532 179.453 176.870 0.084 0.000 1.078 116 L CA 0.831 55.761 54.840 0.149 0.000 0.749 116 L CB -0.477 41.702 42.059 0.201 0.000 0.901 116 L HN 0.357 nan 8.230 nan 0.000 0.433 117 L N -0.768 120.498 121.223 0.072 0.000 2.083 117 L HA -0.209 4.157 4.340 0.043 0.000 0.209 117 L C 2.602 179.489 176.870 0.029 0.000 1.083 117 L CA 1.443 56.309 54.840 0.044 0.000 0.752 117 L CB -0.814 41.269 42.059 0.040 0.000 0.899 117 L HN 0.292 nan 8.230 nan 0.000 0.433 118 T N -1.061 113.511 114.554 0.029 0.000 2.777 118 T HA -0.209 4.167 4.350 0.043 0.000 0.266 118 T C 2.000 176.700 174.700 0.000 0.000 1.040 118 T CA 1.308 63.416 62.100 0.013 0.000 1.141 118 T CB -0.158 68.717 68.868 0.012 0.000 0.868 118 T HN 0.139 nan 8.240 nan 0.000 0.444 119 R N 1.076 121.573 120.500 -0.005 0.000 2.096 119 R HA 0.104 4.470 4.340 0.043 0.000 0.235 119 R C 2.173 178.470 176.300 -0.005 0.000 1.127 119 R CA 1.260 57.346 56.100 -0.024 0.000 0.968 119 R CB -0.937 29.332 30.300 -0.052 0.000 0.861 119 R HN 0.382 nan 8.270 nan 0.000 0.440 120 L N 0.277 121.506 121.223 0.011 0.000 2.083 120 L HA -0.132 4.234 4.340 0.043 0.000 0.209 120 L C 2.568 179.441 176.870 0.005 0.000 1.083 120 L CA 1.704 56.549 54.840 0.009 0.000 0.752 120 L CB -0.433 41.634 42.059 0.013 0.000 0.899 120 L HN 0.253 nan 8.230 nan 0.000 0.433 121 K N 0.023 120.426 120.400 0.005 0.000 2.057 121 K HA -0.185 4.161 4.320 0.043 0.000 0.206 121 K C 1.630 178.231 176.600 0.001 0.000 1.050 121 K CA 1.594 57.883 56.287 0.005 0.000 0.935 121 K CB 0.043 32.547 32.500 0.006 0.000 0.715 121 K HN 0.221 nan 8.250 nan 0.000 0.439 122 D N 0.899 121.296 120.400 -0.005 0.000 2.149 122 D HA -0.157 4.509 4.640 0.043 0.000 0.198 122 D C 1.721 178.016 176.300 -0.008 0.000 0.990 122 D CA 1.069 55.063 54.000 -0.010 0.000 0.839 122 D CB -0.016 40.772 40.800 -0.020 0.000 0.948 122 D HN 0.271 nan 8.370 nan 0.000 0.460 123 L N -0.625 120.594 121.223 -0.007 0.000 2.558 123 L HA 0.182 4.549 4.340 0.043 0.000 0.225 123 L C 1.350 178.222 176.870 0.003 0.000 1.128 123 L CA 0.319 55.156 54.840 -0.005 0.000 0.868 123 L CB -0.051 42.004 42.059 -0.007 0.000 1.006 123 L HN 0.091 nan 8.230 nan 0.000 0.454 124 G N 0.521 109.326 108.800 0.007 0.000 2.176 124 G HA2 -0.242 3.744 3.960 0.043 0.000 0.252 124 G HA3 -0.242 3.744 3.960 0.043 0.000 0.252 124 G C 0.170 175.086 174.900 0.026 0.000 1.024 124 G CA 0.039 45.149 45.100 0.016 0.000 0.755 124 G HN 0.099 nan 8.290 nan 0.000 0.507 125 V N 0.383 120.306 119.914 0.016 0.000 2.521 125 V HA 0.328 4.474 4.120 0.043 0.000 0.286 125 V C 0.978 177.079 176.094 0.011 0.000 1.034 125 V CA 0.160 62.468 62.300 0.013 0.000 1.045 125 V CB 1.389 33.209 31.823 -0.004 0.000 0.974 125 V HN 0.498 nan 8.190 nan 0.000 0.480 126 K N 5.820 126.230 120.400 0.016 0.000 2.339 126 K HA 0.399 4.746 4.320 0.043 0.000 0.286 126 K C -0.788 175.780 176.600 -0.053 0.000 1.050 126 K CA 0.246 56.533 56.287 0.002 0.000 0.956 126 K CB 0.257 32.780 32.500 0.037 0.000 0.990 126 K HN 0.582 nan 8.250 nan 0.000 0.475 127 I N 5.317 125.866 120.570 -0.035 0.000 2.378 127 I HA 0.382 4.578 4.170 0.043 0.000 0.291 127 I C -0.031 176.061 176.117 -0.043 0.000 0.992 127 I CA -0.819 60.455 61.300 -0.044 0.000 1.154 127 I CB 1.758 39.745 38.000 -0.021 0.000 1.315 127 I HN 0.443 nan 8.210 nan 0.000 0.448 128 R N 4.316 124.780 120.500 -0.059 0.000 2.320 128 R HA 0.384 4.750 4.340 0.043 0.000 0.319 128 R C -0.294 175.985 176.300 -0.035 0.000 0.969 128 R CA -0.554 55.518 56.100 -0.047 0.000 0.857 128 R CB 1.804 32.066 30.300 -0.063 0.000 1.160 128 R HN 0.679 nan 8.270 nan 0.000 0.491 129 T N -0.571 113.971 114.554 -0.021 0.000 2.847 129 T HA 0.181 4.557 4.350 0.043 0.000 0.279 129 T C 0.504 175.197 174.700 -0.011 0.000 0.984 129 T CA -0.729 61.363 62.100 -0.012 0.000 0.988 129 T CB 0.565 69.429 68.868 -0.006 0.000 1.040 129 T HN 0.750 nan 8.240 nan 0.000 0.528 130 N N -1.045 117.652 118.700 -0.005 0.000 2.708 130 N HA -0.146 4.620 4.740 0.043 0.000 0.249 130 N C -0.760 174.747 175.510 -0.005 0.000 1.097 130 N CA 0.960 54.009 53.050 -0.003 0.000 0.710 130 N CB -1.420 37.065 38.487 -0.003 0.000 1.032 130 N HN 0.723 nan 8.380 nan 0.000 0.551 131 T N 0.424 114.973 114.554 -0.008 0.000 3.327 131 T HA 0.258 4.634 4.350 0.043 0.000 0.373 131 T C -2.604 172.093 174.700 -0.004 0.000 1.589 131 T CA -0.967 61.124 62.100 -0.014 0.000 1.497 131 T CB 1.265 70.115 68.868 -0.030 0.000 1.032 131 T HN -0.021 nan 8.240 nan 0.000 0.640 132 P HA 0.274 nan 4.420 nan 0.000 0.276 132 P C -0.175 177.146 177.300 0.034 0.000 1.230 132 P CA -0.332 62.790 63.100 0.037 0.000 0.776 132 P CB 0.908 32.633 31.700 0.042 0.000 0.888 133 V N 3.550 123.504 119.914 0.067 0.000 2.546 133 V HA 0.069 4.215 4.120 0.043 0.000 0.284 133 V C 1.829 178.002 176.094 0.131 0.000 1.050 133 V CA 0.209 62.514 62.300 0.008 0.000 0.981 133 V CB 0.953 32.691 31.823 -0.143 0.000 0.990 133 V HN 0.673 nan 8.190 nan 0.000 0.474 134 E N 2.349 122.565 120.200 0.027 0.000 2.099 134 E HA 0.069 4.445 4.350 0.043 0.000 0.191 134 E C 0.738 177.416 176.600 0.130 0.000 0.962 134 E CA 0.857 57.323 56.400 0.110 0.000 0.826 134 E CB 0.629 30.349 29.700 0.034 0.000 0.788 134 E HN 0.756 nan 8.360 nan 0.000 0.461 135 T N -1.118 113.306 114.554 -0.217 0.000 2.718 135 T HA 0.480 4.856 4.350 0.043 0.000 0.306 135 T C -1.778 172.516 174.700 -0.676 0.000 1.485 135 T CA -0.724 61.111 62.100 -0.441 0.000 0.997 135 T CB 0.887 69.693 68.868 -0.104 0.000 1.504 135 T HN 0.054 nan 8.240 nan 0.000 0.497 136 I N 1.959 122.100 120.570 -0.715 0.000 2.474 136 I HA 0.474 4.670 4.170 0.043 0.000 0.294 136 I C -0.123 175.518 176.117 -0.793 0.000 1.005 136 I CA -0.801 60.059 61.300 -0.732 0.000 1.113 136 I CB 1.998 39.537 38.000 -0.768 0.000 1.289 136 I HN 0.615 nan 8.210 nan 0.000 0.436 137 E N 5.554 125.368 120.200 -0.643 0.000 2.200 137 E HA 0.387 4.763 4.350 0.043 0.000 0.283 137 E C -1.776 174.495 176.600 -0.550 0.000 1.015 137 E CA -0.353 55.757 56.400 -0.482 0.000 0.819 137 E CB 0.840 30.394 29.700 -0.243 0.000 1.081 137 E HN 0.401 nan 8.360 nan 0.000 0.397 138 Y N 2.264 122.546 120.300 -0.030 0.000 2.446 138 Y HA 0.436 5.012 4.550 0.044 0.000 0.345 138 Y C -0.100 175.791 175.900 -0.015 0.000 0.984 138 Y CA -0.991 57.096 58.100 -0.021 0.000 1.058 138 Y CB 2.039 40.500 38.460 0.001 0.000 1.220 138 Y HN 0.484 nan 8.280 nan 0.000 0.455 139 E N 1.962 122.246 120.200 0.139 0.000 2.304 139 E HA 0.296 4.672 4.350 0.043 0.000 0.277 139 E C -1.041 175.593 176.600 0.056 0.000 0.898 139 E CA -0.618 55.826 56.400 0.074 0.000 0.764 139 E CB 0.820 30.542 29.700 0.036 0.000 1.216 139 E HN 0.773 nan 8.360 nan 0.000 0.419 140 N N 2.557 121.281 118.700 0.041 0.000 2.754 140 N HA -0.199 4.567 4.740 0.043 0.000 0.248 140 N C 0.426 175.949 175.510 0.022 0.000 1.093 140 N CA 1.488 54.553 53.050 0.024 0.000 0.699 140 N CB -1.417 37.080 38.487 0.018 0.000 1.016 140 N HN 0.968 nan 8.380 nan 0.000 0.552 141 G N -0.804 108.011 108.800 0.024 0.000 2.179 141 G HA2 -0.346 3.640 3.960 0.043 0.000 0.257 141 G HA3 -0.346 3.640 3.960 0.043 0.000 0.257 141 G C -0.146 174.762 174.900 0.013 0.000 1.010 141 G CA 1.023 46.128 45.100 0.009 0.000 0.736 141 G HN 0.740 nan 8.290 nan 0.000 0.513 142 Q N -0.402 119.425 119.800 0.044 0.000 2.397 142 Q HA 0.624 4.990 4.340 0.043 0.000 0.275 142 Q C 0.109 176.181 176.000 0.120 0.000 1.090 142 Q CA -0.471 55.355 55.803 0.038 0.000 0.809 142 Q CB 1.342 30.081 28.738 0.002 0.000 1.362 142 Q HN 0.181 nan 8.270 nan 0.000 0.431 143 T N 2.598 117.215 114.554 0.104 0.000 2.916 143 T HA 0.082 4.458 4.350 0.043 0.000 0.303 143 T C 0.441 175.135 174.700 -0.010 0.000 1.025 143 T CA 0.162 62.324 62.100 0.104 0.000 1.142 143 T CB 0.816 69.700 68.868 0.026 0.000 0.947 143 T HN 0.598 nan 8.240 nan 0.000 0.544 144 K N 0.736 121.102 120.400 -0.055 0.000 2.462 144 K HA 0.547 4.893 4.320 0.043 0.000 0.201 144 K C 0.153 176.705 176.600 -0.081 0.000 1.268 144 K CA 0.025 56.277 56.287 -0.059 0.000 0.933 144 K CB 0.756 33.228 32.500 -0.046 0.000 1.162 144 K HN 0.722 nan 8.250 nan 0.000 0.527 145 A N 0.415 123.148 122.820 -0.144 0.000 2.605 145 A HA 0.506 4.852 4.320 0.043 0.000 0.294 145 A C -1.671 175.781 177.584 -0.219 0.000 1.062 145 A CA -0.673 51.281 52.037 -0.138 0.000 0.682 145 A CB 1.701 20.633 19.000 -0.114 0.000 1.278 145 A HN -0.084 nan 8.150 nan 0.000 0.410 146 V N 1.916 121.718 119.914 -0.187 0.000 2.394 146 V HA 0.470 4.616 4.120 0.043 0.000 0.282 146 V C -0.384 175.587 176.094 -0.205 0.000 1.031 146 V CA -0.114 62.034 62.300 -0.253 0.000 0.881 146 V CB 1.110 32.798 31.823 -0.226 0.000 0.982 146 V HN 0.610 nan 8.190 nan 0.000 0.451 147 I N 5.799 126.225 120.570 -0.240 0.000 2.362 147 I HA 0.402 4.598 4.170 0.043 0.000 0.289 147 I C -0.078 175.954 176.117 -0.141 0.000 0.994 147 I CA -0.333 60.870 61.300 -0.161 0.000 1.158 147 I CB 1.316 39.231 38.000 -0.142 0.000 1.315 147 I HN 0.358 nan 8.210 nan 0.000 0.451 148 L N 4.791 125.957 121.223 -0.095 0.000 2.453 148 L HA 0.155 4.521 4.340 0.043 0.000 0.261 148 L C 1.512 178.361 176.870 -0.035 0.000 1.179 148 L CA -0.266 54.536 54.840 -0.064 0.000 0.813 148 L CB 0.514 42.542 42.059 -0.051 0.000 1.110 148 L HN 0.601 nan 8.230 nan 0.000 0.466 149 Q N 0.842 120.636 119.800 -0.010 0.000 2.181 149 Q HA -0.175 4.191 4.340 0.043 0.000 0.205 149 Q C 1.894 177.894 176.000 -0.001 0.000 0.980 149 Q CA 2.326 58.133 55.803 0.007 0.000 0.862 149 Q CB -0.285 28.465 28.738 0.021 0.000 0.905 149 Q HN 0.877 nan 8.270 nan 0.000 0.429 150 T N -4.499 110.049 114.554 -0.009 0.000 3.007 150 T HA 0.119 4.495 4.350 0.043 0.000 0.270 150 T C 1.486 176.178 174.700 -0.013 0.000 1.107 150 T CA 1.049 63.143 62.100 -0.010 0.000 1.118 150 T CB -0.123 68.737 68.868 -0.012 0.000 0.889 150 T HN 0.489 nan 8.240 nan 0.000 0.506 151 G N 0.834 109.623 108.800 -0.020 0.000 2.213 151 G HA2 -0.239 3.747 3.960 0.043 0.000 0.226 151 G HA3 -0.239 3.747 3.960 0.043 0.000 0.226 151 G C -0.129 174.754 174.900 -0.030 0.000 0.992 151 G CA 0.083 45.169 45.100 -0.024 0.000 0.632 151 G HN 0.800 nan 8.290 nan 0.000 0.511 152 E N 0.777 120.959 120.200 -0.030 0.000 2.465 152 E HA 0.342 4.718 4.350 0.043 0.000 0.260 152 E C 0.028 176.604 176.600 -0.041 0.000 0.980 152 E CA -0.006 56.376 56.400 -0.031 0.000 0.927 152 E CB 0.560 30.242 29.700 -0.030 0.000 0.934 152 E HN 0.185 nan 8.360 nan 0.000 0.459 153 V N 6.626 126.520 119.914 -0.034 0.000 2.398 153 V HA 0.279 4.425 4.120 0.043 0.000 0.286 153 V C -0.013 176.069 176.094 -0.020 0.000 1.026 153 V CA -0.589 61.687 62.300 -0.039 0.000 0.868 153 V CB 1.210 33.013 31.823 -0.034 0.000 0.982 153 V HN 0.565 nan 8.190 nan 0.000 0.443 154 L N 4.962 126.169 121.223 -0.026 0.000 2.318 154 L HA 0.504 4.870 4.340 0.043 0.000 0.277 154 L C 0.177 177.062 176.870 0.024 0.000 1.008 154 L CA -0.269 54.585 54.840 0.023 0.000 0.846 154 L CB 1.409 43.476 42.059 0.014 0.000 1.220 154 L HN 0.611 nan 8.230 nan 0.000 0.423 155 E N 2.066 122.298 120.200 0.053 0.000 2.289 155 E HA 0.465 4.841 4.350 0.043 0.000 0.278 155 E C -0.361 176.277 176.600 0.063 0.000 1.032 155 E CA -0.007 56.413 56.400 0.032 0.000 0.854 155 E CB 1.928 31.643 29.700 0.024 0.000 1.046 155 E HN 0.415 nan 8.360 nan 0.000 0.409 156 T N 1.800 116.375 114.554 0.035 0.000 2.830 156 T HA 0.200 4.576 4.350 0.043 0.000 0.322 156 T C -0.675 174.036 174.700 0.018 0.000 1.501 156 T CA -0.618 61.521 62.100 0.066 0.000 1.036 156 T CB 0.880 69.806 68.868 0.098 0.000 1.379 156 T HN 0.506 nan 8.240 nan 0.000 0.493 157 N N 0.242 118.959 118.700 0.028 0.000 2.205 157 N HA 0.219 4.985 4.740 0.043 0.000 0.201 157 N C -0.933 174.333 175.510 -0.407 0.000 1.128 157 N CA -0.068 52.894 53.050 -0.147 0.000 0.867 157 N CB 0.424 38.819 38.487 -0.154 0.000 0.996 157 N HN 0.423 nan 8.380 nan 0.000 0.503 158 H N -0.284 118.847 119.070 0.102 0.000 3.108 158 H HA 0.401 4.983 4.556 0.043 0.000 0.329 158 H C -1.292 174.120 175.328 0.141 0.000 0.978 158 H CA -0.604 55.557 56.048 0.188 0.000 1.413 158 H CB 1.277 31.152 29.762 0.188 0.000 1.670 158 H HN -0.221 nan 8.280 nan 0.000 0.512 159 V N 3.880 123.925 119.914 0.218 0.000 2.604 159 V HA 0.391 4.538 4.120 0.043 0.000 0.305 159 V C -0.360 175.821 176.094 0.145 0.000 1.043 159 V CA -0.881 61.477 62.300 0.098 0.000 0.888 159 V CB 2.218 34.022 31.823 -0.031 0.000 0.995 159 V HN 0.466 nan 8.190 nan 0.000 0.429 160 V N 5.708 125.665 119.914 0.073 0.000 2.370 160 V HA 0.472 4.618 4.120 0.043 0.000 0.283 160 V C -0.081 176.005 176.094 -0.014 0.000 1.023 160 V CA -0.392 61.940 62.300 0.053 0.000 0.857 160 V CB 1.648 33.485 31.823 0.022 0.000 0.985 160 V HN 0.680 nan 8.190 nan 0.000 0.443 161 I N 4.398 124.914 120.570 -0.090 0.000 2.301 161 I HA 0.506 4.702 4.170 0.043 0.000 0.292 161 I C 0.677 176.844 176.117 0.084 0.000 1.046 161 I CA 0.030 61.338 61.300 0.014 0.000 1.282 161 I CB 1.343 39.321 38.000 -0.038 0.000 1.409 161 I HN 0.721 nan 8.210 nan 0.000 0.484 162 A N 5.992 128.866 122.820 0.090 0.000 2.795 162 A HA 0.320 4.666 4.320 0.043 0.000 0.282 162 A C 0.763 178.369 177.584 0.037 0.000 0.964 162 A CA -0.258 51.817 52.037 0.063 0.000 1.045 162 A CB -0.019 19.004 19.000 0.039 0.000 1.174 162 A HN 0.600 nan 8.150 nan 0.000 0.493 163 V N -3.211 116.716 119.914 0.022 0.000 3.649 163 V HA 0.536 4.682 4.120 0.043 0.000 0.275 163 V C 1.110 177.142 176.094 -0.105 0.000 1.281 163 V CA 0.417 62.694 62.300 -0.038 0.000 1.143 163 V CB -1.365 30.408 31.823 -0.083 0.000 0.892 163 V HN 1.707 nan 8.190 nan 0.000 0.441 164 G N 0.078 108.826 108.800 -0.087 0.000 2.593 164 G HA2 0.110 4.096 3.960 0.043 0.000 0.237 164 G HA3 0.110 4.096 3.960 0.043 0.000 0.237 164 G C 0.302 175.113 174.900 -0.148 0.000 1.312 164 G CA -0.067 44.977 45.100 -0.095 0.000 0.896 164 G HN 1.246 nan 8.290 nan 0.000 0.574 165 G N -1.399 107.336 108.800 -0.107 0.000 3.075 165 G HA2 0.582 4.568 3.960 0.043 0.000 0.156 165 G HA3 0.582 4.568 3.960 0.043 0.000 0.156 165 G C 0.679 175.544 174.900 -0.057 0.000 1.403 165 G CA 0.776 45.844 45.100 -0.053 0.000 1.033 165 G HN 0.886 nan 8.290 nan 0.000 0.589 166 K N -0.552 119.846 120.400 -0.003 0.000 2.438 166 K HA 0.254 4.600 4.320 0.043 0.000 0.206 166 K C 0.573 177.158 176.600 -0.025 0.000 1.081 166 K CA -0.007 56.279 56.287 -0.001 0.000 1.053 166 K CB 0.495 33.031 32.500 0.061 0.000 0.908 166 K HN 0.438 nan 8.250 nan 0.000 0.556 167 S N -0.367 115.308 115.700 -0.042 0.000 2.578 167 S HA 0.262 4.758 4.470 0.043 0.000 0.283 167 S C 0.520 175.104 174.600 -0.026 0.000 1.195 167 S CA -0.415 57.766 58.200 -0.032 0.000 1.050 167 S CB 1.509 64.685 63.200 -0.040 0.000 1.012 167 S HN 0.046 nan 8.310 nan 0.000 0.511 168 V N 1.892 121.801 119.914 -0.008 0.000 6.078 168 V HA -0.119 4.027 4.120 0.043 0.000 0.301 168 V C -1.301 174.788 176.094 -0.010 0.000 0.571 168 V CA 0.647 62.946 62.300 -0.001 0.000 0.625 168 V CB -2.061 29.766 31.823 0.006 0.000 0.271 168 V HN 0.945 nan 8.190 nan 0.000 0.788 169 P HA -0.197 nan 4.420 nan 0.000 0.221 169 P C 1.493 178.786 177.300 -0.012 0.000 1.145 169 P CA 1.553 64.642 63.100 -0.017 0.000 0.795 169 P CB 0.295 31.986 31.700 -0.015 0.000 0.775 170 Q N -0.216 119.582 119.800 -0.004 0.000 2.297 170 Q HA -0.113 4.253 4.340 0.043 0.000 0.208 170 Q C 2.019 178.019 176.000 -0.001 0.000 0.981 170 Q CA 2.135 57.937 55.803 -0.000 0.000 0.876 170 Q CB -0.636 28.105 28.738 0.005 0.000 0.921 170 Q HN 0.422 nan 8.270 nan 0.000 0.446 171 T N -4.776 109.775 114.554 -0.004 0.000 3.113 171 T HA 0.239 4.616 4.350 0.043 0.000 0.256 171 T C 1.331 176.024 174.700 -0.011 0.000 1.131 171 T CA 0.617 62.714 62.100 -0.005 0.000 1.074 171 T CB 0.657 69.521 68.868 -0.007 0.000 0.944 171 T HN 0.402 nan 8.240 nan 0.000 0.516 172 G N 1.395 110.185 108.800 -0.017 0.000 2.253 172 G HA2 -0.214 3.773 3.960 0.043 0.000 0.209 172 G HA3 -0.214 3.773 3.960 0.043 0.000 0.209 172 G C 0.359 175.234 174.900 -0.043 0.000 0.997 172 G CA -0.067 45.020 45.100 -0.022 0.000 0.640 172 G HN 1.176 nan 8.290 nan 0.000 0.496 173 S N 1.396 117.065 115.700 -0.051 0.000 2.494 173 S HA 0.505 5.001 4.470 0.043 0.000 0.312 173 S C 0.879 175.429 174.600 -0.083 0.000 1.121 173 S CA 0.766 58.917 58.200 -0.081 0.000 1.068 173 S CB 0.902 64.056 63.200 -0.078 0.000 1.141 173 S HN 1.227 nan 8.310 nan 0.000 0.527 174 T N -1.679 112.810 114.554 -0.109 0.000 3.200 174 T HA 0.543 4.919 4.350 0.043 0.000 0.284 174 T C 1.229 175.854 174.700 -0.125 0.000 1.009 174 T CA -0.025 62.021 62.100 -0.089 0.000 0.907 174 T CB -0.133 68.697 68.868 -0.064 0.000 1.120 174 T HN 1.518 nan 8.240 nan 0.000 0.534 175 G N 1.854 110.517 108.800 -0.230 0.000 2.137 175 G HA2 -0.239 3.747 3.960 0.043 0.000 0.237 175 G HA3 -0.239 3.747 3.960 0.043 0.000 0.237 175 G C 0.430 175.019 174.900 -0.517 0.000 1.002 175 G CA 0.199 45.085 45.100 -0.356 0.000 0.702 175 G HN 0.507 nan 8.290 nan 0.000 0.515 176 D N 0.242 120.312 120.400 -0.551 0.000 2.218 176 D HA -0.013 4.653 4.640 0.043 0.000 0.204 176 D C 2.384 177.868 176.300 -1.360 0.000 0.976 176 D CA 1.492 55.054 54.000 -0.729 0.000 0.853 176 D CB -0.613 39.839 40.800 -0.581 0.000 0.939 176 D HN 0.572 nan 8.370 nan 0.000 0.481 177 G N -0.275 107.790 108.800 -1.225 0.000 2.448 177 G HA2 -0.228 3.758 3.960 0.043 0.000 0.218 177 G HA3 -0.228 3.758 3.960 0.043 0.000 0.218 177 G C 1.157 175.746 174.900 -0.518 0.000 1.135 177 G CA 0.236 44.717 45.100 -1.032 0.000 0.784 177 G HN 0.232 nan 8.290 nan 0.000 0.543 178 Y N 1.360 121.492 120.300 -0.281 0.000 2.181 178 Y HA 0.072 4.647 4.550 0.042 0.000 0.288 178 Y C 3.064 178.932 175.900 -0.053 0.000 1.146 178 Y CA 0.287 58.313 58.100 -0.124 0.000 1.164 178 Y CB -0.924 37.462 38.460 -0.124 0.000 0.982 178 Y HN 0.237 nan 8.280 nan 0.000 0.515 179 A N -0.154 122.675 122.820 0.015 0.000 1.933 179 A HA -0.161 4.185 4.320 0.043 0.000 0.218 179 A C 1.815 179.566 177.584 0.278 0.000 1.175 179 A CA 1.485 53.582 52.037 0.099 0.000 0.628 179 A CB -1.127 17.904 19.000 0.052 0.000 0.814 179 A HN 0.575 nan 8.150 nan 0.000 0.444 180 W N -0.309 121.095 121.300 0.175 0.000 2.363 180 W HA 0.007 4.693 4.660 0.044 0.000 0.296 180 W C 2.700 179.423 176.519 0.341 0.000 1.212 180 W CA 0.538 58.027 57.345 0.240 0.000 1.260 180 W CB -1.405 28.160 29.460 0.175 0.000 1.131 180 W HN 0.436 nan 8.180 nan 0.000 0.530 181 A N 0.488 123.629 122.820 0.535 0.000 1.898 181 A HA -0.183 4.163 4.320 0.043 0.000 0.216 181 A C 1.936 179.755 177.584 0.391 0.000 1.181 181 A CA 1.669 54.006 52.037 0.500 0.000 0.620 181 A CB -0.754 18.407 19.000 0.268 0.000 0.819 181 A HN 0.330 nan 8.150 nan 0.000 0.442 182 E N -0.415 119.953 120.200 0.280 0.000 2.077 182 E HA -0.207 4.169 4.350 0.043 0.000 0.193 182 E C 2.060 178.758 176.600 0.163 0.000 0.989 182 E CA 1.334 57.846 56.400 0.186 0.000 0.800 182 E CB -0.130 29.649 29.700 0.131 0.000 0.746 182 E HN 0.646 nan 8.360 nan 0.000 0.452 183 K N 0.734 121.277 120.400 0.238 0.000 2.147 183 K HA -0.106 4.240 4.320 0.043 0.000 0.205 183 K C 1.852 178.507 176.600 0.091 0.000 1.049 183 K CA 1.146 57.577 56.287 0.239 0.000 0.936 183 K CB -0.041 32.710 32.500 0.418 0.000 0.722 183 K HN 0.065 nan 8.250 nan 0.000 0.446 184 A N -0.152 122.664 122.820 -0.007 0.000 2.235 184 A HA 0.161 4.507 4.320 0.043 0.000 0.208 184 A C 1.319 178.843 177.584 -0.101 0.000 1.172 184 A CA 0.979 52.810 52.037 -0.343 0.000 0.786 184 A CB -0.326 18.546 19.000 -0.213 0.000 0.804 184 A HN 0.590 nan 8.150 nan 0.000 0.479 185 G N -2.035 106.728 108.800 -0.062 0.000 2.184 185 G HA2 -0.168 3.818 3.960 0.043 0.000 0.206 185 G HA3 -0.168 3.818 3.960 0.043 0.000 0.206 185 G C 0.122 174.834 174.900 -0.313 0.000 0.995 185 G CA 0.119 45.057 45.100 -0.269 0.000 0.651 185 G HN 0.641 nan 8.290 nan 0.000 0.511 186 H N 0.705 119.820 119.070 0.074 0.000 2.508 186 H HA 0.503 5.085 4.556 0.043 0.000 0.358 186 H C -0.002 175.347 175.328 0.036 0.000 1.212 186 H CA 0.894 57.032 56.048 0.150 0.000 1.356 186 H CB 1.114 30.942 29.762 0.109 0.000 1.525 186 H HN 0.155 nan 8.280 nan 0.000 0.578 187 T N 3.271 117.927 114.554 0.170 0.000 2.829 187 T HA 0.273 4.649 4.350 0.043 0.000 0.282 187 T C 0.475 175.185 174.700 0.017 0.000 0.990 187 T CA -0.727 61.408 62.100 0.058 0.000 1.028 187 T CB 0.725 69.613 68.868 0.033 0.000 0.951 187 T HN 0.232 nan 8.240 nan 0.000 0.460 188 I N 3.223 123.775 120.570 -0.030 0.000 2.321 188 I HA 0.212 4.409 4.170 0.043 0.000 0.291 188 I C 0.942 176.989 176.117 -0.116 0.000 0.998 188 I CA -0.590 60.647 61.300 -0.105 0.000 1.227 188 I CB 0.653 38.553 38.000 -0.167 0.000 1.368 188 I HN 0.582 nan 8.210 nan 0.000 0.466 189 T N 6.139 120.625 114.554 -0.115 0.000 2.888 189 T HA 0.009 4.385 4.350 0.043 0.000 0.301 189 T C 0.590 175.235 174.700 -0.092 0.000 1.001 189 T CA -0.136 61.920 62.100 -0.073 0.000 1.147 189 T CB 0.169 69.016 68.868 -0.034 0.000 0.931 189 T HN 0.471 nan 8.240 nan 0.000 0.541 190 E N 2.835 123.006 120.200 -0.047 0.000 2.608 190 E HA -0.022 4.355 4.350 0.043 0.000 0.259 190 E C -0.193 176.417 176.600 0.016 0.000 0.951 190 E CA -0.110 56.265 56.400 -0.041 0.000 0.945 190 E CB 0.322 30.013 29.700 -0.015 0.000 0.916 190 E HN 0.467 nan 8.360 nan 0.000 0.477 191 L N 5.777 126.947 121.223 -0.088 0.000 2.397 191 L HA 0.312 4.678 4.340 0.043 0.000 0.271 191 L C -0.007 176.878 176.870 0.025 0.000 1.148 191 L CA -0.322 54.431 54.840 -0.144 0.000 0.825 191 L CB -0.009 41.902 42.059 -0.246 0.000 1.117 191 L HN 0.434 nan 8.230 nan 0.000 0.456 192 F N 1.555 121.413 119.950 -0.154 0.000 2.601 192 F HA 0.730 5.279 4.527 0.037 0.000 0.309 192 F C -2.852 172.866 175.800 -0.137 0.000 1.089 192 F CA -2.775 55.145 58.000 -0.134 0.000 0.940 192 F CB 1.025 39.940 39.000 -0.142 0.000 1.273 192 F HN 0.156 nan 8.300 nan 0.000 0.450 193 P HA 0.269 nan 4.420 nan 0.000 0.274 193 P C -0.749 176.559 177.300 0.014 0.000 1.231 193 P CA -0.086 62.997 63.100 -0.029 0.000 0.790 193 P CB 1.656 33.373 31.700 0.028 0.000 0.951 194 T N -2.479 112.065 114.554 -0.017 0.000 2.907 194 T HA 0.328 4.705 4.350 0.043 0.000 0.292 194 T C -0.248 174.544 174.700 0.154 0.000 1.043 194 T CA -0.733 61.410 62.100 0.072 0.000 1.003 194 T CB 0.839 69.739 68.868 0.052 0.000 1.084 194 T HN 0.415 nan 8.240 nan 0.000 0.483 195 E N -0.467 119.826 120.200 0.155 0.000 2.230 195 E HA -0.128 4.248 4.350 0.043 0.000 0.206 195 E C -0.049 176.605 176.600 0.091 0.000 1.309 195 E CA 0.732 57.200 56.400 0.113 0.000 0.697 195 E CB -2.375 27.367 29.700 0.069 0.000 1.146 195 E HN 0.983 nan 8.360 nan 0.000 0.363 196 V N -3.928 116.034 119.914 0.079 0.000 3.001 196 V HA 0.739 4.885 4.120 0.043 0.000 0.314 196 V C -2.474 173.655 176.094 0.058 0.000 1.099 196 V CA -2.795 59.546 62.300 0.068 0.000 0.989 196 V CB 2.128 33.990 31.823 0.066 0.000 1.040 196 V HN -0.162 nan 8.190 nan 0.000 0.434 197 P HA 0.342 nan 4.420 nan 0.000 0.270 197 P C -0.590 176.746 177.300 0.060 0.000 1.223 197 P CA 0.128 63.262 63.100 0.056 0.000 0.785 197 P CB 0.395 32.143 31.700 0.080 0.000 0.923 198 I N 1.813 122.414 120.570 0.052 0.000 2.392 198 I HA 0.260 4.456 4.170 0.043 0.000 0.295 198 I C 0.193 176.350 176.117 0.067 0.000 0.985 198 I CA -0.716 60.616 61.300 0.054 0.000 1.221 198 I CB 0.764 38.791 38.000 0.044 0.000 1.366 198 I HN 0.054 nan 8.210 nan 0.000 0.467 199 L N 4.751 126.012 121.223 0.063 0.000 2.343 199 L HA 0.550 4.916 4.340 0.043 0.000 0.275 199 L C 0.089 176.991 176.870 0.053 0.000 1.056 199 L CA -0.204 54.679 54.840 0.072 0.000 0.804 199 L CB 1.560 43.648 42.059 0.047 0.000 1.203 199 L HN 0.554 nan 8.230 nan 0.000 0.440 200 S N 0.924 116.655 115.700 0.051 0.000 2.536 200 S HA 0.335 4.831 4.470 0.043 0.000 0.271 200 S C -0.448 174.146 174.600 -0.010 0.000 1.134 200 S CA -0.818 57.387 58.200 0.010 0.000 0.897 200 S CB 1.321 64.511 63.200 -0.017 0.000 1.094 200 S HN 0.764 nan 8.310 nan 0.000 0.473 201 N N 2.701 121.388 118.700 -0.021 0.000 2.328 201 N HA 0.103 4.869 4.740 0.043 0.000 0.247 201 N C -0.539 174.938 175.510 -0.055 0.000 1.165 201 N CA -0.387 52.648 53.050 -0.025 0.000 0.873 201 N CB 0.149 38.638 38.487 0.003 0.000 1.125 201 N HN 0.568 nan 8.380 nan 0.000 0.513 202 E N 1.591 121.719 120.200 -0.119 0.000 2.481 202 E HA -0.025 4.351 4.350 0.043 0.000 0.263 202 E C -1.386 175.131 176.600 -0.139 0.000 0.992 202 E CA -0.913 55.408 56.400 -0.132 0.000 0.938 202 E CB 0.910 30.433 29.700 -0.295 0.000 0.933 202 E HN 0.178 nan 8.360 nan 0.000 0.453 203 P HA -0.188 nan 4.420 nan 0.000 0.216 203 P C 1.287 178.639 177.300 0.086 0.000 1.150 203 P CA 1.351 64.492 63.100 0.069 0.000 0.843 203 P CB -0.144 31.639 31.700 0.140 0.000 0.787 204 F N -1.844 118.179 119.950 0.121 0.000 2.365 204 F HA -0.048 4.505 4.527 0.042 0.000 0.300 204 F C 1.720 177.506 175.800 -0.023 0.000 1.090 204 F CA 0.857 58.894 58.000 0.061 0.000 1.408 204 F CB -1.255 37.776 39.000 0.051 0.000 1.060 204 F HN -0.213 nan 8.300 nan 0.000 0.534 205 I N 1.209 121.355 120.570 -0.706 0.000 2.277 205 I HA -0.098 4.098 4.170 0.043 0.000 0.243 205 I C 2.502 178.535 176.117 -0.139 0.000 1.094 205 I CA 1.008 62.057 61.300 -0.417 0.000 1.393 205 I CB -1.163 36.588 38.000 -0.414 0.000 1.078 205 I HN 0.206 nan 8.210 nan 0.000 0.417 206 R N 1.201 121.645 120.500 -0.094 0.000 2.096 206 R HA -0.182 4.184 4.340 0.043 0.000 0.235 206 R C 1.408 177.715 176.300 0.012 0.000 1.127 206 R CA 1.716 57.810 56.100 -0.008 0.000 0.968 206 R CB -0.327 29.978 30.300 0.008 0.000 0.861 206 R HN 0.513 nan 8.270 nan 0.000 0.440 207 D N -0.372 120.040 120.400 0.020 0.000 2.328 207 D HA -0.038 4.628 4.640 0.043 0.000 0.226 207 D C 0.114 176.430 176.300 0.026 0.000 1.066 207 D CA -0.091 53.932 54.000 0.038 0.000 0.861 207 D CB -0.053 40.788 40.800 0.068 0.000 0.912 207 D HN 0.006 nan 8.370 nan 0.000 0.521 208 R N -0.823 119.678 120.500 0.002 0.000 3.875 208 R HA -0.198 4.169 4.340 0.043 0.000 0.321 208 R C 1.169 177.458 176.300 -0.019 0.000 1.196 208 R CA 0.703 56.795 56.100 -0.013 0.000 0.868 208 R CB -2.541 27.756 30.300 -0.005 0.000 1.333 208 R HN 0.111 nan 8.270 nan 0.000 0.522 209 S N 0.111 115.805 115.700 -0.010 0.000 2.392 209 S HA -0.142 4.354 4.470 0.043 0.000 0.232 209 S C 1.394 175.914 174.600 -0.134 0.000 1.041 209 S CA 1.535 59.709 58.200 -0.042 0.000 1.026 209 S CB 0.037 63.213 63.200 -0.039 0.000 0.845 209 S HN 0.430 nan 8.310 nan 0.000 0.465 210 L N 0.372 121.478 121.223 -0.195 0.000 3.069 210 L HA 0.287 4.653 4.340 0.043 0.000 0.271 210 L C 0.485 177.288 176.870 -0.111 0.000 1.201 210 L CA -0.242 54.424 54.840 -0.290 0.000 1.015 210 L CB 0.069 41.656 42.059 -0.787 0.000 1.371 210 L HN 0.206 nan 8.230 nan 0.000 0.574 211 Q N 1.206 120.974 119.800 -0.054 0.000 2.263 211 Q HA 0.157 4.524 4.340 0.043 0.000 0.289 211 Q C 1.225 177.218 176.000 -0.012 0.000 1.061 211 Q CA 1.260 57.047 55.803 -0.027 0.000 0.927 211 Q CB 0.556 29.267 28.738 -0.046 0.000 1.154 211 Q HN 0.451 nan 8.270 nan 0.000 0.378 212 G N 3.128 111.924 108.800 -0.007 0.000 2.199 212 G HA2 -0.285 3.701 3.960 0.043 0.000 0.254 212 G HA3 -0.285 3.701 3.960 0.043 0.000 0.254 212 G C -0.293 174.627 174.900 0.033 0.000 0.982 212 G CA 0.132 45.229 45.100 -0.005 0.000 0.632 212 G HN 0.578 nan 8.290 nan 0.000 0.529 213 L N 1.867 123.144 121.223 0.091 0.000 2.418 213 L HA 0.714 5.080 4.340 0.043 0.000 0.274 213 L C 0.700 177.648 176.870 0.130 0.000 1.135 213 L CA 0.138 55.046 54.840 0.114 0.000 0.870 213 L CB 0.577 42.704 42.059 0.113 0.000 1.154 213 L HN 0.785 nan 8.230 nan 0.000 0.462 214 A N 6.816 129.655 122.820 0.032 0.000 2.290 214 A HA 0.605 4.951 4.320 0.043 0.000 0.310 214 A C -0.719 176.832 177.584 -0.054 0.000 1.202 214 A CA -0.563 51.457 52.037 -0.028 0.000 0.837 214 A CB 0.215 19.193 19.000 -0.035 0.000 1.139 214 A HN 0.731 nan 8.150 nan 0.000 0.509 215 L N 3.960 125.115 121.223 -0.114 0.000 2.287 215 L HA 0.431 4.797 4.340 0.043 0.000 0.287 215 L C 0.013 176.814 176.870 -0.114 0.000 1.022 215 L CA -0.744 54.010 54.840 -0.144 0.000 0.814 215 L CB 1.112 43.036 42.059 -0.226 0.000 1.217 215 L HN 0.692 nan 8.230 nan 0.000 0.420 216 R N 2.796 123.246 120.500 -0.084 0.000 2.368 216 R HA 0.212 4.578 4.340 0.043 0.000 0.302 216 R C -0.533 175.736 176.300 -0.052 0.000 1.002 216 R CA -0.693 55.370 56.100 -0.062 0.000 0.929 216 R CB 0.927 31.199 30.300 -0.046 0.000 1.073 216 R HN 0.594 nan 8.270 nan 0.000 0.464 217 D N 1.236 121.611 120.400 -0.042 0.000 2.737 217 D HA -0.179 4.488 4.640 0.043 0.000 0.238 217 D C 0.119 176.405 176.300 -0.023 0.000 1.157 217 D CA 0.980 54.966 54.000 -0.024 0.000 0.694 217 D CB -1.227 39.565 40.800 -0.012 0.000 1.021 217 D HN 0.514 nan 8.370 nan 0.000 0.420 218 I N -3.152 117.395 120.570 -0.038 0.000 3.076 218 I HA 0.555 4.751 4.170 0.043 0.000 0.313 218 I C 0.169 176.266 176.117 -0.034 0.000 1.053 218 I CA -0.839 60.442 61.300 -0.031 0.000 1.048 218 I CB 1.141 39.109 38.000 -0.053 0.000 1.264 218 I HN -0.279 nan 8.210 nan 0.000 0.498 219 N N 2.700 121.383 118.700 -0.029 0.000 2.424 219 N HA 0.525 5.291 4.740 0.043 0.000 0.271 219 N C -1.455 174.007 175.510 -0.081 0.000 0.985 219 N CA -0.278 52.720 53.050 -0.086 0.000 0.921 219 N CB 1.644 40.081 38.487 -0.082 0.000 1.149 219 N HN 0.585 nan 8.380 nan 0.000 0.492 220 L N 1.672 122.825 121.223 -0.116 0.000 2.305 220 L HA 0.537 4.903 4.340 0.043 0.000 0.284 220 L C -0.455 176.351 176.870 -0.107 0.000 1.013 220 L CA -0.161 54.631 54.840 -0.080 0.000 0.819 220 L CB 1.074 43.092 42.059 -0.069 0.000 1.227 220 L HN 0.364 nan 8.230 nan 0.000 0.417 221 S N 3.293 118.949 115.700 -0.074 0.000 2.537 221 S HA 0.690 5.186 4.470 0.043 0.000 0.301 221 S C -0.805 173.763 174.600 -0.054 0.000 1.092 221 S CA -0.624 57.523 58.200 -0.087 0.000 1.048 221 S CB 2.018 65.173 63.200 -0.075 0.000 1.053 221 S HN 0.355 nan 8.310 nan 0.000 0.501 222 V N 4.017 123.890 119.914 -0.067 0.000 2.333 222 V HA 0.319 4.465 4.120 0.043 0.000 0.274 222 V C -0.167 175.890 176.094 -0.063 0.000 1.028 222 V CA -0.544 61.731 62.300 -0.041 0.000 0.851 222 V CB 0.510 32.331 31.823 -0.005 0.000 1.000 222 V HN 0.696 nan 8.190 nan 0.000 0.456 223 L N 5.404 126.592 121.223 -0.058 0.000 2.417 223 L HA 0.535 4.901 4.340 0.043 0.000 0.268 223 L C 0.349 177.163 176.870 -0.093 0.000 1.158 223 L CA 0.086 54.886 54.840 -0.067 0.000 0.819 223 L CB 0.476 42.501 42.059 -0.056 0.000 1.112 223 L HN 0.627 nan 8.230 nan 0.000 0.458 230 I N 2.054 122.513 120.570 -0.184 0.000 2.404 230 I HA 0.567 4.763 4.170 0.043 0.000 0.293 230 I C -0.699 175.260 176.117 -0.264 0.000 0.992 230 I CA -0.491 60.625 61.300 -0.307 0.000 1.149 230 I CB 1.730 39.351 38.000 -0.632 0.000 1.315 230 I HN 0.519 nan 8.210 nan 0.000 0.446 231 I N 4.974 125.394 120.570 -0.251 0.000 2.447 231 I HA 0.257 4.453 4.170 0.043 0.000 0.287 231 I C -0.112 175.781 176.117 -0.373 0.000 1.023 231 I CA -0.517 60.596 61.300 -0.311 0.000 1.083 231 I CB 2.152 39.934 38.000 -0.364 0.000 1.245 231 I HN 0.549 nan 8.210 nan 0.000 0.434 232 S N 5.674 121.183 115.700 -0.319 0.000 2.438 232 S HA 0.443 4.939 4.470 0.043 0.000 0.293 232 S C -0.502 173.915 174.600 -0.304 0.000 1.141 232 S CA -0.595 57.458 58.200 -0.245 0.000 1.080 232 S CB 0.493 63.611 63.200 -0.136 0.000 0.978 232 S HN 0.504 nan 8.310 nan 0.000 0.479 233 H N 2.635 121.657 119.070 -0.080 0.000 2.467 233 H HA 0.343 4.923 4.556 0.040 0.000 0.326 233 H C 0.151 175.447 175.328 -0.052 0.000 1.094 233 H CA -0.455 55.559 56.048 -0.056 0.000 1.253 233 H CB 1.098 30.830 29.762 -0.049 0.000 1.439 233 H HN 0.870 nan 8.280 nan 0.000 0.479 234 K N 2.486 122.926 120.400 0.066 0.000 3.278 234 K HA -0.186 4.160 4.320 0.043 0.000 0.270 234 K C -1.039 175.560 176.600 -0.003 0.000 0.955 234 K CA 0.443 56.749 56.287 0.031 0.000 0.723 234 K CB -0.715 31.813 32.500 0.046 0.000 1.382 234 K HN 0.622 nan 8.250 nan 0.000 0.461 235 M N 0.522 120.104 119.600 -0.029 0.000 2.690 235 M HA 0.324 4.830 4.480 0.043 0.000 0.302 235 M C -0.492 175.772 176.300 -0.059 0.000 1.234 235 M CA -1.050 54.223 55.300 -0.046 0.000 0.853 235 M CB 1.617 34.181 32.600 -0.061 0.000 1.748 235 M HN -0.019 nan 8.290 nan 0.000 0.469 236 D N 1.742 122.105 120.400 -0.062 0.000 2.283 236 D HA 0.549 5.215 4.640 0.043 0.000 0.248 236 D C -0.897 175.340 176.300 -0.105 0.000 1.072 236 D CA 0.021 53.974 54.000 -0.077 0.000 0.929 236 D CB 1.485 42.248 40.800 -0.062 0.000 1.182 236 D HN 0.431 nan 8.370 nan 0.000 0.433 237 M N 1.343 120.854 119.600 -0.147 0.000 2.619 237 M HA 0.488 4.994 4.480 0.043 0.000 0.297 237 M C -1.972 174.182 176.300 -0.244 0.000 1.229 237 M CA -1.061 54.112 55.300 -0.211 0.000 0.860 237 M CB 2.486 34.914 32.600 -0.286 0.000 1.741 237 M HN 0.272 nan 8.290 nan 0.000 0.462 238 L N 2.410 123.473 121.223 -0.267 0.000 2.408 238 L HA 0.620 4.986 4.340 0.043 0.000 0.268 238 L C -1.940 174.751 176.870 -0.299 0.000 0.986 238 L CA -0.061 54.649 54.840 -0.216 0.000 0.820 238 L CB 1.825 43.814 42.059 -0.116 0.000 1.303 238 L HN 0.563 nan 8.230 nan 0.000 0.411 239 F N 2.859 122.764 119.950 -0.075 0.000 2.420 239 F HA 0.557 5.111 4.527 0.046 0.000 0.352 239 F C 1.090 176.796 175.800 -0.156 0.000 1.108 239 F CA 0.057 58.017 58.000 -0.065 0.000 1.162 239 F CB 1.336 40.327 39.000 -0.015 0.000 1.118 239 F HN 0.636 nan 8.300 nan 0.000 0.510 240 T N -1.233 113.285 114.554 -0.061 0.000 2.919 240 T HA 0.247 4.623 4.350 0.043 0.000 0.282 240 T C 1.293 175.751 174.700 -0.402 0.000 1.020 240 T CA -0.654 61.202 62.100 -0.406 0.000 0.994 240 T CB 0.895 69.472 68.868 -0.486 0.000 1.180 240 T HN 0.680 nan 8.240 nan 0.000 0.566 241 H N -0.109 118.774 119.070 -0.312 0.000 2.426 241 H HA -0.048 4.534 4.556 0.044 0.000 0.298 241 H C 1.035 176.115 175.328 -0.414 0.000 1.107 241 H CA 1.488 57.232 56.048 -0.508 0.000 1.298 241 H CB -0.441 28.722 29.762 -0.998 0.000 1.377 241 H HN 0.649 nan 8.280 nan 0.000 0.519 242 F N 0.447 120.490 119.950 0.155 0.000 2.706 242 F HA 0.430 4.982 4.527 0.042 0.000 0.308 242 F C 1.506 177.326 175.800 0.034 0.000 1.095 242 F CA 0.005 58.070 58.000 0.108 0.000 1.244 242 F CB 1.563 40.655 39.000 0.154 0.000 1.063 242 F HN 0.425 nan 8.300 nan 0.000 0.582 243 G N 0.556 109.435 108.800 0.132 0.000 2.530 243 G HA2 0.209 4.195 3.960 0.043 0.000 0.081 243 G HA3 0.209 4.195 3.960 0.043 0.000 0.081 243 G C -1.796 173.139 174.900 0.057 0.000 1.062 243 G CA -0.936 44.217 45.100 0.089 0.000 1.108 243 G HN -0.086 nan 8.290 nan 0.000 0.466 244 L N 0.796 122.033 121.223 0.022 0.000 2.385 244 L HA 0.812 5.178 4.340 0.043 0.000 0.273 244 L C 0.149 176.984 176.870 -0.058 0.000 0.990 244 L CA -0.684 54.115 54.840 -0.068 0.000 0.821 244 L CB 1.886 43.896 42.059 -0.081 0.000 1.279 244 L HN 0.650 nan 8.230 nan 0.000 0.412 245 S N 0.671 116.310 115.700 -0.102 0.000 2.998 245 S HA 0.963 5.459 4.470 0.043 0.000 0.323 245 S C -0.435 174.110 174.600 -0.092 0.000 1.141 245 S CA 0.181 58.342 58.200 -0.065 0.000 0.873 245 S CB 1.792 64.970 63.200 -0.036 0.000 1.315 245 S HN 1.170 nan 8.310 nan 0.000 0.637 246 G N 1.281 110.042 108.800 -0.065 0.000 2.730 246 G HA2 -0.099 3.887 3.960 0.043 0.000 0.686 246 G HA3 -0.099 3.887 3.960 0.043 0.000 0.686 246 G C -2.523 172.340 174.900 -0.062 0.000 1.343 246 G CA -0.295 44.763 45.100 -0.070 0.000 0.826 246 G HN 0.490 nan 8.290 nan 0.000 0.582 247 P HA -0.133 nan 4.420 nan 0.000 0.216 247 P C 2.286 179.551 177.300 -0.058 0.000 1.154 247 P CA 3.210 66.275 63.100 -0.058 0.000 0.865 247 P CB -0.074 31.592 31.700 -0.057 0.000 0.789 248 A N -0.214 122.564 122.820 -0.069 0.000 1.877 248 A HA -0.134 4.212 4.320 0.043 0.000 0.216 248 A C 2.357 179.914 177.584 -0.045 0.000 1.186 248 A CA 2.356 54.352 52.037 -0.069 0.000 0.620 248 A CB -1.593 17.354 19.000 -0.089 0.000 0.822 248 A HN 0.216 nan 8.150 nan 0.000 0.443 249 A N -0.247 122.542 122.820 -0.051 0.000 1.873 249 A HA 0.013 4.359 4.320 0.043 0.000 0.215 249 A C 2.155 179.749 177.584 0.016 0.000 1.186 249 A CA 1.368 53.391 52.037 -0.024 0.000 0.616 249 A CB -0.632 18.338 19.000 -0.050 0.000 0.823 249 A HN 0.459 nan 8.150 nan 0.000 0.442 250 L N -1.011 120.215 121.223 0.005 0.000 2.042 250 L HA -0.224 4.142 4.340 0.043 0.000 0.210 250 L C 2.781 179.692 176.870 0.067 0.000 1.076 250 L CA 1.916 56.773 54.840 0.028 0.000 0.749 250 L CB -0.545 41.512 42.059 -0.004 0.000 0.893 250 L HN 0.398 nan 8.230 nan 0.000 0.432 251 R N -0.021 120.512 120.500 0.055 0.000 2.096 251 R HA -0.120 4.246 4.340 0.043 0.000 0.235 251 R C 2.161 178.609 176.300 0.245 0.000 1.127 251 R CA 1.750 57.913 56.100 0.105 0.000 0.968 251 R CB -0.882 29.405 30.300 -0.021 0.000 0.861 251 R HN 0.329 nan 8.270 nan 0.000 0.440 252 C N 0.284 119.703 119.300 0.199 0.000 2.495 252 C HA 0.075 4.561 4.460 0.043 0.000 0.275 252 C C 2.692 177.847 174.990 0.275 0.000 1.392 252 C CA 0.736 59.939 59.018 0.307 0.000 1.766 252 C CB -0.944 26.882 27.740 0.144 0.000 1.933 252 C HN 0.737 nan 8.230 nan 0.000 0.519 253 S N 2.441 118.232 115.700 0.152 0.000 2.383 253 S HA -0.322 4.175 4.470 0.043 0.000 0.229 253 S C 1.811 176.442 174.600 0.051 0.000 1.030 253 S CA 1.907 60.164 58.200 0.097 0.000 1.002 253 S CB -0.804 62.444 63.200 0.079 0.000 0.829 253 S HN 0.886 nan 8.310 nan 0.000 0.467 254 Q N 0.127 119.907 119.800 -0.033 0.000 2.170 254 Q HA -0.067 4.299 4.340 0.043 0.000 0.203 254 Q C 1.692 177.493 176.000 -0.332 0.000 0.976 254 Q CA 1.328 57.032 55.803 -0.165 0.000 0.858 254 Q CB -0.771 27.841 28.738 -0.210 0.000 0.907 254 Q HN 0.605 nan 8.270 nan 0.000 0.433 255 F N 1.036 121.014 119.950 0.046 0.000 2.206 255 F HA -0.066 4.480 4.527 0.032 0.000 0.298 255 F C 2.306 178.104 175.800 -0.003 0.000 1.090 255 F CA 0.503 58.507 58.000 0.007 0.000 1.323 255 F CB -0.541 38.479 39.000 0.033 0.000 1.028 255 F HN -0.116 nan 8.300 nan 0.000 0.492 256 V N -0.348 119.662 119.914 0.160 0.000 2.255 256 V HA -0.276 3.870 4.120 0.043 0.000 0.247 256 V C 2.361 178.486 176.094 0.051 0.000 1.051 256 V CA 1.679 64.032 62.300 0.090 0.000 1.018 256 V CB -0.861 31.008 31.823 0.076 0.000 0.641 256 V HN 0.175 nan 8.190 nan 0.000 0.445 257 V N -0.280 119.646 119.914 0.019 0.000 2.255 257 V HA -0.300 3.846 4.120 0.043 0.000 0.247 257 V C 2.499 178.571 176.094 -0.037 0.000 1.051 257 V CA 2.158 64.457 62.300 -0.002 0.000 1.018 257 V CB -0.762 31.064 31.823 0.006 0.000 0.641 257 V HN 0.518 nan 8.190 nan 0.000 0.445 258 K N 0.108 120.435 120.400 -0.121 0.000 2.009 258 K HA -0.211 4.136 4.320 0.043 0.000 0.210 258 K C 2.361 178.982 176.600 0.035 0.000 1.049 258 K CA 1.661 57.864 56.287 -0.139 0.000 0.929 258 K CB -0.626 31.737 32.500 -0.229 0.000 0.714 258 K HN 0.465 nan 8.250 nan 0.000 0.440 259 A N 1.908 124.802 122.820 0.124 0.000 1.869 259 A HA -0.212 4.134 4.320 0.043 0.000 0.218 259 A C 2.272 180.032 177.584 0.292 0.000 1.203 259 A CA 1.689 53.886 52.037 0.265 0.000 0.638 259 A CB -0.986 18.080 19.000 0.111 0.000 0.831 259 A HN 0.214 nan 8.150 nan 0.000 0.450 260 L N -0.970 120.335 121.223 0.136 0.000 2.043 260 L HA -0.260 4.106 4.340 0.043 0.000 0.212 260 L C 2.646 179.580 176.870 0.107 0.000 1.075 260 L CA 2.027 56.933 54.840 0.110 0.000 0.752 260 L CB -0.445 41.649 42.059 0.058 0.000 0.891 260 L HN 0.420 nan 8.230 nan 0.000 0.432 261 K N 0.696 121.134 120.400 0.065 0.000 2.025 261 K HA -0.171 4.176 4.320 0.043 0.000 0.207 261 K C 2.022 178.616 176.600 -0.010 0.000 1.049 261 K CA 1.524 57.822 56.287 0.017 0.000 0.933 261 K CB -0.048 32.442 32.500 -0.018 0.000 0.714 261 K HN -0.064 nan 8.250 nan 0.000 0.438 262 K N -0.827 119.558 120.400 -0.025 0.000 2.097 262 K HA -0.042 4.304 4.320 0.043 0.000 0.206 262 K C 1.664 178.054 176.600 -0.351 0.000 1.049 262 K CA 1.686 57.828 56.287 -0.242 0.000 0.933 262 K CB -0.151 32.096 32.500 -0.422 0.000 0.717 262 K HN 0.161 nan 8.250 nan 0.000 0.442 263 F N 0.216 120.157 119.950 -0.015 0.000 2.622 263 F HA 0.181 4.732 4.527 0.040 0.000 0.288 263 F C 0.163 175.958 175.800 -0.008 0.000 1.120 263 F CA -0.146 57.849 58.000 -0.010 0.000 1.423 263 F CB 0.449 39.445 39.000 -0.006 0.000 1.127 263 F HN -0.243 nan 8.300 nan 0.000 0.588 264 K N 1.484 121.972 120.400 0.146 0.000 3.161 264 K HA -0.138 4.208 4.320 0.043 0.000 0.270 264 K C -0.137 176.513 176.600 0.083 0.000 1.115 264 K CA 0.874 57.209 56.287 0.081 0.000 0.789 264 K CB -2.767 29.759 32.500 0.043 0.000 1.256 264 K HN 0.468 nan 8.250 nan 0.000 0.492 265 T N -2.482 112.129 114.554 0.095 0.000 2.944 265 T HA 0.388 4.764 4.350 0.043 0.000 0.284 265 T C 1.382 176.105 174.700 0.038 0.000 1.010 265 T CA -0.294 61.839 62.100 0.055 0.000 1.025 265 T CB 1.643 70.534 68.868 0.037 0.000 1.079 265 T HN 0.326 nan 8.240 nan 0.000 0.516 266 N N 0.016 118.730 118.700 0.024 0.000 2.376 266 N HA 0.030 4.797 4.740 0.043 0.000 0.177 266 N C 0.525 176.044 175.510 0.015 0.000 1.024 266 N CA 0.338 53.399 53.050 0.019 0.000 0.893 266 N CB 0.159 38.654 38.487 0.014 0.000 0.980 266 N HN 0.831 nan 8.380 nan 0.000 0.439 267 T N -1.177 113.383 114.554 0.010 0.000 2.906 267 T HA 0.603 4.979 4.350 0.043 0.000 0.295 267 T C -0.465 174.228 174.700 -0.011 0.000 1.075 267 T CA -1.103 60.999 62.100 0.004 0.000 1.005 267 T CB 1.923 70.794 68.868 0.004 0.000 1.136 267 T HN 0.262 nan 8.240 nan 0.000 0.498 268 I N -1.298 119.263 120.570 -0.014 0.000 2.892 268 I HA 0.632 4.828 4.170 0.043 0.000 0.306 268 I C -0.499 175.600 176.117 -0.030 0.000 1.078 268 I CA -1.262 60.013 61.300 -0.041 0.000 1.032 268 I CB 2.150 40.117 38.000 -0.054 0.000 1.229 268 I HN 0.651 nan 8.210 nan 0.000 0.435 269 Q N 3.918 123.690 119.800 -0.047 0.000 2.256 269 Q HA 0.547 4.913 4.340 0.043 0.000 0.254 269 Q C -1.110 174.874 176.000 -0.027 0.000 0.916 269 Q CA -0.471 55.311 55.803 -0.036 0.000 0.932 269 Q CB 1.539 30.249 28.738 -0.047 0.000 1.207 269 Q HN 0.637 nan 8.270 nan 0.000 0.426 270 M N 0.819 120.413 119.600 -0.010 0.000 2.644 270 M HA 0.442 4.948 4.480 0.043 0.000 0.316 270 M C -0.538 175.763 176.300 0.001 0.000 1.200 270 M CA -0.665 54.636 55.300 0.001 0.000 0.944 270 M CB 2.321 34.937 32.600 0.025 0.000 1.691 270 M HN 0.437 nan 8.290 nan 0.000 0.471 271 S N 1.466 117.174 115.700 0.013 0.000 2.538 271 S HA 0.713 5.210 4.470 0.043 0.000 0.288 271 S C -1.287 173.362 174.600 0.081 0.000 1.108 271 S CA -0.715 57.510 58.200 0.040 0.000 0.971 271 S CB 0.998 64.213 63.200 0.025 0.000 1.041 271 S HN 0.604 nan 8.310 nan 0.000 0.483 272 I N 3.543 124.218 120.570 0.176 0.000 2.339 272 I HA 0.330 4.526 4.170 0.043 0.000 0.290 272 I C -0.665 175.580 176.117 0.214 0.000 0.994 272 I CA -0.607 60.816 61.300 0.205 0.000 1.191 272 I CB 1.551 39.763 38.000 0.354 0.000 1.343 272 I HN 0.539 nan 8.210 nan 0.000 0.458 273 D N 5.718 126.195 120.400 0.128 0.000 2.443 273 D HA 0.356 5.022 4.640 0.043 0.000 0.221 273 D C 0.734 177.100 176.300 0.109 0.000 1.097 273 D CA -0.242 53.836 54.000 0.131 0.000 0.865 273 D CB 1.791 42.642 40.800 0.084 0.000 1.034 273 D HN 0.645 nan 8.370 nan 0.000 0.511 274 A N 4.031 126.940 122.820 0.148 0.000 2.066 274 A HA 0.070 4.416 4.320 0.043 0.000 0.218 274 A C 1.070 178.672 177.584 0.030 0.000 1.157 274 A CA 0.578 52.656 52.037 0.069 0.000 0.670 274 A CB 0.070 19.129 19.000 0.099 0.000 0.804 274 A HN 0.599 nan 8.150 nan 0.000 0.453 275 L N 0.353 121.621 121.223 0.075 0.000 2.495 275 L HA 0.258 4.625 4.340 0.043 0.000 0.248 275 L C -1.907 175.014 176.870 0.084 0.000 1.229 275 L CA -1.408 53.474 54.840 0.069 0.000 0.942 275 L CB 1.872 43.993 42.059 0.103 0.000 1.242 275 L HN 0.090 nan 8.230 nan 0.000 0.484 276 P HA -0.136 nan 4.420 nan 0.000 0.221 276 P C 1.017 178.358 177.300 0.067 0.000 1.150 276 P CA 1.078 64.221 63.100 0.072 0.000 0.800 276 P CB 0.575 32.316 31.700 0.068 0.000 0.787 277 E N 0.043 120.275 120.200 0.054 0.000 2.153 277 E HA -0.093 4.283 4.350 0.043 0.000 0.194 277 E C 0.431 177.063 176.600 0.054 0.000 0.988 277 E CA 0.786 57.212 56.400 0.045 0.000 0.811 277 E CB 0.084 29.802 29.700 0.030 0.000 0.746 277 E HN 0.461 nan 8.360 nan 0.000 0.466 278 E N 0.890 121.133 120.200 0.072 0.000 2.187 278 E HA 0.139 4.515 4.350 0.043 0.000 0.268 278 E C -0.769 175.892 176.600 0.102 0.000 0.896 278 E CA -0.537 55.915 56.400 0.086 0.000 0.766 278 E CB 1.388 31.150 29.700 0.103 0.000 1.142 278 E HN 0.138 nan 8.360 nan 0.000 0.408 279 N N 0.092 118.846 118.700 0.091 0.000 2.424 279 N HA -0.025 4.742 4.740 0.043 0.000 0.257 279 N C 0.855 176.431 175.510 0.110 0.000 1.250 279 N CA -0.066 53.037 53.050 0.089 0.000 0.946 279 N CB 1.073 39.600 38.487 0.067 0.000 1.175 279 N HN 0.302 nan 8.380 nan 0.000 0.477 280 S N -0.175 115.584 115.700 0.099 0.000 2.469 280 S HA -0.130 4.366 4.470 0.043 0.000 0.238 280 S C 1.018 175.693 174.600 0.125 0.000 0.998 280 S CA 0.559 58.823 58.200 0.107 0.000 0.957 280 S CB -0.404 62.833 63.200 0.063 0.000 0.764 280 S HN 0.653 nan 8.310 nan 0.000 0.514 281 E N 1.828 122.094 120.200 0.109 0.000 2.042 281 E HA -0.061 4.315 4.350 0.043 0.000 0.189 281 E C 2.314 179.017 176.600 0.172 0.000 0.974 281 E CA 0.892 57.373 56.400 0.136 0.000 0.806 281 E CB -0.643 29.108 29.700 0.085 0.000 0.769 281 E HN 0.662 nan 8.360 nan 0.000 0.451 282 Q N 0.530 120.407 119.800 0.128 0.000 2.112 282 Q HA -0.181 4.185 4.340 0.043 0.000 0.206 282 Q C 2.259 178.349 176.000 0.150 0.000 0.987 282 Q CA 1.192 57.066 55.803 0.118 0.000 0.858 282 Q CB -0.176 28.619 28.738 0.094 0.000 0.905 282 Q HN 0.072 nan 8.270 nan 0.000 0.420 283 L N -0.495 120.840 121.223 0.187 0.000 2.056 283 L HA -0.127 4.239 4.340 0.043 0.000 0.207 283 L C 1.966 178.966 176.870 0.216 0.000 1.078 283 L CA 1.471 56.453 54.840 0.237 0.000 0.749 283 L CB -0.497 41.720 42.059 0.263 0.000 0.901 283 L HN 0.196 nan 8.230 nan 0.000 0.433 284 F N -0.413 119.573 119.950 0.059 0.000 2.134 284 F HA -0.235 4.318 4.527 0.043 0.000 0.299 284 F C 2.424 178.247 175.800 0.038 0.000 1.097 284 F CA 1.556 59.570 58.000 0.023 0.000 1.264 284 F CB -0.200 38.806 39.000 0.010 0.000 1.001 284 F HN 0.144 nan 8.300 nan 0.000 0.479 285 Q N 0.351 120.160 119.800 0.014 0.000 2.123 285 Q HA -0.118 4.248 4.340 0.043 0.000 0.199 285 Q C 2.446 178.412 176.000 -0.057 0.000 0.966 285 Q CA 1.190 56.947 55.803 -0.075 0.000 0.845 285 Q CB -0.568 28.192 28.738 0.038 0.000 0.907 285 Q HN 0.456 nan 8.270 nan 0.000 0.439 286 R N -0.101 120.420 120.500 0.036 0.000 2.103 286 R HA -0.083 4.283 4.340 0.043 0.000 0.242 286 R C 2.325 178.679 176.300 0.091 0.000 1.142 286 R CA 1.511 57.667 56.100 0.093 0.000 0.960 286 R CB -0.160 30.260 30.300 0.200 0.000 0.858 286 R HN 0.281 nan 8.270 nan 0.000 0.439 287 M N 0.163 119.770 119.600 0.012 0.000 2.200 287 M HA -0.129 4.377 4.480 0.043 0.000 0.265 287 M C 2.198 178.410 176.300 -0.146 0.000 1.066 287 M CA 1.365 56.615 55.300 -0.084 0.000 1.127 287 M CB -0.117 32.353 32.600 -0.216 0.000 1.379 287 M HN 0.157 nan 8.290 nan 0.000 0.420 288 L N -0.040 121.025 121.223 -0.263 0.000 1.994 288 L HA -0.219 4.147 4.340 0.043 0.000 0.208 288 L C 2.160 178.974 176.870 -0.093 0.000 1.071 288 L CA 1.473 56.185 54.840 -0.213 0.000 0.745 288 L CB -0.790 41.078 42.059 -0.318 0.000 0.892 288 L HN 0.238 nan 8.230 nan 0.000 0.431 289 K N -0.401 119.956 120.400 -0.072 0.000 2.442 289 K HA -0.181 4.165 4.320 0.043 0.000 0.199 289 K C 2.037 178.633 176.600 -0.006 0.000 1.044 289 K CA 0.895 57.165 56.287 -0.028 0.000 0.941 289 K CB -0.004 32.486 32.500 -0.016 0.000 0.759 289 K HN 0.421 nan 8.250 nan 0.000 0.472 290 Q N -0.613 119.188 119.800 0.003 0.000 2.394 290 Q HA 0.153 4.519 4.340 0.043 0.000 0.218 290 Q C 1.872 177.877 176.000 0.010 0.000 0.907 290 Q CA 0.300 56.116 55.803 0.023 0.000 0.919 290 Q CB 0.351 29.132 28.738 0.071 0.000 1.051 290 Q HN 0.332 nan 8.270 nan 0.000 0.538 291 M N 0.132 119.726 119.600 -0.010 0.000 2.374 291 M HA -0.118 4.388 4.480 0.043 0.000 0.264 291 M C 1.546 177.841 176.300 -0.007 0.000 1.067 291 M CA 1.354 56.645 55.300 -0.015 0.000 1.103 291 M CB -0.102 32.475 32.600 -0.037 0.000 1.402 291 M HN -0.003 nan 8.290 nan 0.000 0.444 292 K N 0.113 120.510 120.400 -0.005 0.000 2.262 292 K HA -0.061 4.285 4.320 0.043 0.000 0.200 292 K C 1.801 178.402 176.600 0.002 0.000 1.049 292 K CA 0.615 56.902 56.287 0.001 0.000 0.979 292 K CB 0.116 32.616 32.500 0.000 0.000 0.773 292 K HN 0.246 nan 8.250 nan 0.000 0.474 293 E N 1.049 121.251 120.200 0.002 0.000 2.150 293 E HA -0.131 4.245 4.350 0.043 0.000 0.193 293 E C -0.540 176.064 176.600 0.005 0.000 0.985 293 E CA 1.073 57.475 56.400 0.004 0.000 0.814 293 E CB 0.317 30.020 29.700 0.006 0.000 0.752 293 E HN 0.166 nan 8.360 nan 0.000 0.466 294 D N -0.922 119.482 120.400 0.006 0.000 2.621 294 D HA 0.095 4.761 4.640 0.043 0.000 0.274 294 D C -2.210 174.092 176.300 0.004 0.000 1.215 294 D CA -1.059 52.946 54.000 0.007 0.000 0.810 294 D CB 1.471 42.279 40.800 0.012 0.000 1.248 294 D HN 0.030 nan 8.370 nan 0.000 0.517 295 P HA -0.042 nan 4.420 nan 0.000 0.229 295 P C 0.815 178.111 177.300 -0.006 0.000 1.160 295 P CA 0.643 63.740 63.100 -0.004 0.000 0.777 295 P CB 0.397 32.096 31.700 -0.003 0.000 0.814 296 K N -0.855 119.544 120.400 -0.002 0.000 2.393 296 K HA 0.106 4.452 4.320 0.043 0.000 0.193 296 K C 0.606 177.206 176.600 0.000 0.000 1.026 296 K CA 0.223 56.509 56.287 -0.002 0.000 1.064 296 K CB 0.229 32.728 32.500 -0.001 0.000 0.833 296 K HN 0.152 nan 8.250 nan 0.000 0.521 297 K N 0.898 121.300 120.400 0.004 0.000 2.118 297 K HA 0.206 4.552 4.320 0.043 0.000 0.267 297 K C 0.288 176.895 176.600 0.012 0.000 0.991 297 K CA -0.562 55.731 56.287 0.010 0.000 0.916 297 K CB 1.383 33.893 32.500 0.017 0.000 1.041 297 K HN 0.039 nan 8.250 nan 0.000 0.455 298 G N 1.575 110.385 108.800 0.016 0.000 2.353 298 G HA2 -0.052 3.934 3.960 0.043 0.000 0.239 298 G HA3 -0.052 3.934 3.960 0.043 0.000 0.239 298 G C 0.869 175.792 174.900 0.039 0.000 1.295 298 G CA -0.214 44.896 45.100 0.018 0.000 0.884 298 G HN 0.809 nan 8.290 nan 0.000 0.537 299 I N 1.375 121.964 120.570 0.032 0.000 2.361 299 I HA -0.143 4.053 4.170 0.043 0.000 0.251 299 I C 2.718 178.941 176.117 0.176 0.000 1.133 299 I CA 1.577 62.918 61.300 0.067 0.000 1.413 299 I CB 0.055 38.069 38.000 0.024 0.000 1.073 299 I HN 0.769 nan 8.210 nan 0.000 0.424 300 K N -0.198 120.289 120.400 0.145 0.000 2.442 300 K HA -0.104 4.242 4.320 0.043 0.000 0.198 300 K C 1.297 178.086 176.600 0.316 0.000 1.042 300 K CA 1.340 57.792 56.287 0.276 0.000 0.958 300 K CB -0.256 32.290 32.500 0.077 0.000 0.766 300 K HN 0.393 nan 8.250 nan 0.000 0.474 301 N N 0.425 119.230 118.700 0.176 0.000 2.463 301 N HA -0.003 4.764 4.740 0.043 0.000 0.183 301 N C 1.694 177.263 175.510 0.099 0.000 1.064 301 N CA 0.602 53.726 53.050 0.123 0.000 0.879 301 N CB 0.359 38.892 38.487 0.077 0.000 1.148 301 N HN -0.011 nan 8.380 nan 0.000 0.451 302 V N 1.784 121.755 119.914 0.096 0.000 2.407 302 V HA -0.085 4.061 4.120 0.043 0.000 0.248 302 V C 1.743 177.893 176.094 0.093 0.000 1.055 302 V CA 1.299 63.644 62.300 0.075 0.000 1.049 302 V CB -0.218 31.638 31.823 0.054 0.000 0.662 302 V HN 0.240 nan 8.190 nan 0.000 0.455 303 L N 0.648 121.927 121.223 0.094 0.000 2.965 303 L HA 0.211 4.577 4.340 0.043 0.000 0.254 303 L C 0.871 177.612 176.870 -0.215 0.000 1.220 303 L CA -0.239 54.598 54.840 -0.006 0.000 1.023 303 L CB -0.219 41.765 42.059 -0.124 0.000 1.355 303 L HN 0.364 nan 8.230 nan 0.000 0.545 304 K N -0.014 120.346 120.400 -0.068 0.000 2.380 304 K HA 0.324 4.670 4.320 0.043 0.000 0.267 304 K C 0.991 177.563 176.600 -0.047 0.000 0.990 304 K CA 0.535 56.761 56.287 -0.100 0.000 0.946 304 K CB 0.574 33.091 32.500 0.028 0.000 0.937 304 K HN 0.114 nan 8.250 nan 0.000 0.491 305 G N 1.066 109.818 108.800 -0.080 0.000 2.175 305 G HA2 -0.304 3.683 3.960 0.043 0.000 0.244 305 G HA3 -0.304 3.683 3.960 0.043 0.000 0.244 305 G C 0.506 175.321 174.900 -0.142 0.000 0.982 305 G CA 0.420 45.464 45.100 -0.094 0.000 0.641 305 G HN 0.747 nan 8.290 nan 0.000 0.527 306 Y N 0.357 120.528 120.300 -0.215 0.000 2.184 306 Y HA 0.303 4.879 4.550 0.043 0.000 0.290 306 Y C 1.946 177.683 175.900 -0.271 0.000 1.129 306 Y CA 1.763 59.745 58.100 -0.197 0.000 1.144 306 Y CB 0.134 38.521 38.460 -0.122 0.000 0.995 306 Y HN 0.672 nan 8.280 nan 0.000 0.513 307 V N -4.083 115.753 119.914 -0.130 0.000 3.160 307 V HA 0.587 4.733 4.120 0.043 0.000 0.310 307 V C -2.866 173.235 176.094 0.012 0.000 1.181 307 V CA -3.148 59.088 62.300 -0.107 0.000 1.047 307 V CB 1.244 32.971 31.823 -0.159 0.000 1.068 307 V HN -0.271 nan 8.190 nan 0.000 0.441 308 P HA 0.133 nan 4.420 nan 0.000 0.267 308 P C 0.804 178.204 177.300 0.167 0.000 1.200 308 P CA 0.277 63.424 63.100 0.077 0.000 0.772 308 P CB 0.527 32.259 31.700 0.053 0.000 0.855 309 E N 2.706 122.998 120.200 0.153 0.000 2.070 309 E HA -0.282 4.094 4.350 0.043 0.000 0.197 309 E C 1.654 178.383 176.600 0.215 0.000 1.004 309 E CA 1.297 57.831 56.400 0.223 0.000 0.805 309 E CB 0.026 29.820 29.700 0.156 0.000 0.744 309 E HN 0.306 nan 8.360 nan 0.000 0.451 310 R N -0.792 119.794 120.500 0.145 0.000 2.096 310 R HA -0.173 4.193 4.340 0.043 0.000 0.235 310 R C 2.347 178.734 176.300 0.145 0.000 1.127 310 R CA 1.442 57.605 56.100 0.106 0.000 0.968 310 R CB -0.382 29.947 30.300 0.048 0.000 0.861 310 R HN 0.321 nan 8.270 nan 0.000 0.440 311 Y N 0.326 120.634 120.300 0.013 0.000 2.200 311 Y HA -0.237 4.339 4.550 0.044 0.000 0.290 311 Y C 2.003 177.994 175.900 0.152 0.000 1.137 311 Y CA 1.048 59.146 58.100 -0.003 0.000 1.163 311 Y CB -0.532 37.908 38.460 -0.033 0.000 0.988 311 Y HN -0.037 nan 8.280 nan 0.000 0.518 312 F N 0.360 120.367 119.950 0.094 0.000 2.069 312 F HA -0.268 4.285 4.527 0.043 0.000 0.298 312 F C 1.943 177.753 175.800 0.017 0.000 1.113 312 F CA 1.824 59.870 58.000 0.077 0.000 1.214 312 F CB -0.911 38.161 39.000 0.119 0.000 0.978 312 F HN 0.040 nan 8.300 nan 0.000 0.474 313 L N -1.252 119.891 121.223 -0.132 0.000 2.093 313 L HA -0.186 4.180 4.340 0.043 0.000 0.208 313 L C 2.480 179.240 176.870 -0.183 0.000 1.085 313 L CA 1.257 55.934 54.840 -0.272 0.000 0.755 313 L CB -0.934 41.060 42.059 -0.108 0.000 0.904 313 L HN 0.226 nan 8.230 nan 0.000 0.435 314 F N 0.849 120.660 119.950 -0.231 0.000 2.134 314 F HA -0.205 4.348 4.527 0.043 0.000 0.299 314 F C 2.132 177.744 175.800 -0.314 0.000 1.097 314 F CA 1.517 59.363 58.000 -0.256 0.000 1.264 314 F CB -0.108 38.719 39.000 -0.289 0.000 1.001 314 F HN -0.124 nan 8.300 nan 0.000 0.479 315 L N -0.297 120.653 121.223 -0.454 0.000 2.156 315 L HA -0.177 4.189 4.340 0.043 0.000 0.208 315 L C 2.468 179.092 176.870 -0.411 0.000 1.095 315 L CA 0.696 55.229 54.840 -0.513 0.000 0.770 315 L CB -0.693 41.175 42.059 -0.318 0.000 0.914 315 L HN 0.254 nan 8.230 nan 0.000 0.439 316 L N -0.174 120.809 121.223 -0.400 0.000 1.989 316 L HA -0.265 4.101 4.340 0.043 0.000 0.211 316 L C 2.560 179.243 176.870 -0.313 0.000 1.071 316 L CA 1.553 56.169 54.840 -0.373 0.000 0.749 316 L CB -0.500 41.272 42.059 -0.479 0.000 0.890 316 L HN 0.310 nan 8.230 nan 0.000 0.431 317 E N 0.497 120.502 120.200 -0.325 0.000 2.049 317 E HA -0.322 4.055 4.350 0.043 0.000 0.198 317 E C 2.207 178.629 176.600 -0.296 0.000 1.007 317 E CA 1.840 58.076 56.400 -0.272 0.000 0.809 317 E CB -0.005 29.547 29.700 -0.248 0.000 0.749 317 E HN 0.245 nan 8.360 nan 0.000 0.450 318 K N 0.164 120.298 120.400 -0.443 0.000 2.160 318 K HA -0.154 4.192 4.320 0.043 0.000 0.206 318 K C 1.209 177.665 176.600 -0.241 0.000 1.047 318 K CA 1.581 57.633 56.287 -0.392 0.000 0.930 318 K CB 0.041 32.203 32.500 -0.564 0.000 0.720 318 K HN 0.087 nan 8.250 nan 0.000 0.450 319 N N 1.161 119.720 118.700 -0.236 0.000 2.268 319 N HA -0.012 4.754 4.740 0.043 0.000 0.204 319 N C -0.954 174.469 175.510 -0.144 0.000 1.124 319 N CA 0.274 53.222 53.050 -0.170 0.000 0.838 319 N CB 0.657 39.040 38.487 -0.173 0.000 0.994 319 N HN 0.217 nan 8.380 nan 0.000 0.489 320 E N 0.603 120.712 120.200 -0.151 0.000 2.246 320 E HA -0.186 4.190 4.350 0.043 0.000 0.211 320 E C -0.893 175.635 176.600 -0.120 0.000 1.278 320 E CA 0.404 56.730 56.400 -0.123 0.000 0.694 320 E CB -1.271 28.373 29.700 -0.093 0.000 1.166 320 E HN 0.416 nan 8.360 nan 0.000 0.370 321 I N 0.812 121.294 120.570 -0.146 0.000 2.389 321 I HA 0.183 4.379 4.170 0.043 0.000 0.288 321 I C 0.274 176.305 176.117 -0.143 0.000 0.999 321 I CA -0.854 60.362 61.300 -0.140 0.000 1.129 321 I CB 1.336 39.242 38.000 -0.157 0.000 1.288 321 I HN 0.006 nan 8.210 nan 0.000 0.444 322 D N 4.911 125.245 120.400 -0.110 0.000 2.343 322 D HA 0.084 4.750 4.640 0.043 0.000 0.255 322 D C 1.238 177.477 176.300 -0.103 0.000 1.187 322 D CA 0.240 54.181 54.000 -0.098 0.000 0.875 322 D CB 1.947 42.705 40.800 -0.071 0.000 1.136 322 D HN 0.763 nan 8.370 nan 0.000 0.469 323 G N 2.385 111.114 108.800 -0.119 0.000 2.462 323 G HA2 -0.257 3.729 3.960 0.043 0.000 0.220 323 G HA3 -0.257 3.729 3.960 0.043 0.000 0.220 323 G C 1.361 176.230 174.900 -0.053 0.000 1.121 323 G CA 1.122 46.154 45.100 -0.114 0.000 0.758 323 G HN 0.544 nan 8.290 nan 0.000 0.559 324 S N -0.304 115.368 115.700 -0.045 0.000 2.558 324 S HA 0.171 4.667 4.470 0.043 0.000 0.217 324 S C 0.659 175.243 174.600 -0.027 0.000 0.975 324 S CA -0.208 57.976 58.200 -0.026 0.000 0.912 324 S CB 0.136 63.321 63.200 -0.024 0.000 0.776 324 S HN 0.499 nan 8.310 nan 0.000 0.526 325 E N 2.149 122.326 120.200 -0.039 0.000 2.502 325 E HA -0.010 4.366 4.350 0.043 0.000 0.261 325 E C -0.141 176.440 176.600 -0.030 0.000 0.974 325 E CA 0.244 56.620 56.400 -0.040 0.000 0.936 325 E CB 0.296 29.963 29.700 -0.054 0.000 0.926 325 E HN 0.498 nan 8.360 nan 0.000 0.459 326 Q N 1.328 121.111 119.800 -0.029 0.000 2.300 326 Q HA -0.010 4.357 4.340 0.043 0.000 0.280 326 Q C 0.953 176.934 176.000 -0.032 0.000 1.033 326 Q CA 0.030 55.819 55.803 -0.024 0.000 0.903 326 Q CB 1.034 29.758 28.738 -0.022 0.000 1.195 326 Q HN 0.730 nan 8.270 nan 0.000 0.386 327 A N 3.156 125.962 122.820 -0.023 0.000 1.986 327 A HA -0.149 4.197 4.320 0.043 0.000 0.220 327 A C 1.570 179.122 177.584 -0.054 0.000 1.171 327 A CA 1.845 53.863 52.037 -0.031 0.000 0.640 327 A CB -0.381 18.611 19.000 -0.013 0.000 0.811 327 A HN 0.867 nan 8.150 nan 0.000 0.451 328 G N -2.151 106.623 108.800 -0.044 0.000 3.371 328 G HA2 0.319 4.305 3.960 0.043 0.000 0.248 328 G HA3 0.319 4.305 3.960 0.043 0.000 0.248 328 G C 0.752 175.615 174.900 -0.063 0.000 1.161 328 G CA 0.643 45.713 45.100 -0.050 0.000 0.796 328 G HN 0.446 nan 8.290 nan 0.000 0.539 329 Q N 0.059 119.817 119.800 -0.071 0.000 2.112 329 Q HA 0.299 4.665 4.340 0.043 0.000 0.222 329 Q C -0.479 175.466 176.000 -0.091 0.000 0.798 329 Q CA 0.002 55.764 55.803 -0.070 0.000 1.060 329 Q CB 0.977 29.687 28.738 -0.048 0.000 1.184 329 Q HN 0.061 nan 8.270 nan 0.000 0.475 330 V N 2.070 121.908 119.914 -0.126 0.000 2.370 330 V HA 0.457 4.603 4.120 0.043 0.000 0.283 330 V C -0.060 175.902 176.094 -0.220 0.000 1.023 330 V CA -0.621 61.595 62.300 -0.140 0.000 0.857 330 V CB 1.473 33.225 31.823 -0.117 0.000 0.985 330 V HN 0.437 nan 8.190 nan 0.000 0.443 331 S N 2.433 118.033 115.700 -0.166 0.000 2.549 331 S HA 0.125 4.621 4.470 0.043 0.000 0.283 331 S C 0.865 175.385 174.600 -0.133 0.000 1.320 331 S CA -0.136 57.965 58.200 -0.165 0.000 1.058 331 S CB 0.191 63.351 63.200 -0.066 0.000 0.882 331 S HN 0.758 nan 8.310 nan 0.000 0.498 332 H N 1.531 120.634 119.070 0.055 0.000 2.489 332 H HA -0.033 4.549 4.556 0.043 0.000 0.293 332 H C 1.645 177.046 175.328 0.121 0.000 1.066 332 H CA 1.760 57.894 56.048 0.142 0.000 1.305 332 H CB -0.008 29.873 29.762 0.198 0.000 1.386 332 H HN 0.704 nan 8.280 nan 0.000 0.551 333 E N 0.755 121.032 120.200 0.129 0.000 2.106 333 E HA -0.086 4.290 4.350 0.043 0.000 0.192 333 E C 1.736 178.340 176.600 0.006 0.000 0.984 333 E CA 0.810 57.233 56.400 0.039 0.000 0.806 333 E CB 0.095 29.802 29.700 0.011 0.000 0.750 333 E HN 0.365 nan 8.360 nan 0.000 0.458 334 K N 0.074 120.471 120.400 -0.006 0.000 2.288 334 K HA -0.015 4.331 4.320 0.043 0.000 0.201 334 K C 1.623 178.196 176.600 -0.046 0.000 1.048 334 K CA 0.486 56.747 56.287 -0.044 0.000 0.956 334 K CB 0.126 32.586 32.500 -0.066 0.000 0.746 334 K HN 0.111 nan 8.250 nan 0.000 0.461 335 I N 0.946 121.528 120.570 0.020 0.000 2.333 335 I HA -0.156 4.040 4.170 0.043 0.000 0.246 335 I C 2.130 178.299 176.117 0.087 0.000 1.106 335 I CA 1.069 62.398 61.300 0.047 0.000 1.411 335 I CB -0.745 37.336 38.000 0.135 0.000 1.082 335 I HN 0.106 nan 8.210 nan 0.000 0.420 336 R N 1.001 121.570 120.500 0.115 0.000 2.127 336 R HA -0.125 4.241 4.340 0.043 0.000 0.238 336 R C 2.180 178.435 176.300 -0.074 0.000 1.134 336 R CA 1.509 57.575 56.100 -0.057 0.000 0.975 336 R CB -0.627 29.554 30.300 -0.198 0.000 0.865 336 R HN 0.374 nan 8.270 nan 0.000 0.447 337 A N 0.796 123.573 122.820 -0.071 0.000 1.897 337 A HA -0.107 4.239 4.320 0.043 0.000 0.215 337 A C 2.168 179.675 177.584 -0.128 0.000 1.181 337 A CA 0.733 52.719 52.037 -0.084 0.000 0.620 337 A CB -0.409 18.544 19.000 -0.079 0.000 0.821 337 A HN 0.191 nan 8.150 nan 0.000 0.443 338 L N 0.087 121.193 121.223 -0.195 0.000 2.046 338 L HA -0.117 4.249 4.340 0.043 0.000 0.208 338 L C 2.397 178.944 176.870 -0.538 0.000 1.077 338 L CA 1.825 56.438 54.840 -0.378 0.000 0.747 338 L CB -0.442 41.361 42.059 -0.426 0.000 0.896 338 L HN 0.174 nan 8.230 nan 0.000 0.432 339 V N -0.518 119.189 119.914 -0.345 0.000 2.407 339 V HA -0.289 3.858 4.120 0.043 0.000 0.248 339 V C 2.609 178.694 176.094 -0.015 0.000 1.055 339 V CA 1.901 64.086 62.300 -0.191 0.000 1.049 339 V CB -0.740 31.082 31.823 -0.002 0.000 0.662 339 V HN 0.462 nan 8.190 nan 0.000 0.455 340 K N -0.243 120.143 120.400 -0.023 0.000 2.097 340 K HA -0.216 4.130 4.320 0.043 0.000 0.206 340 K C 1.819 178.482 176.600 0.105 0.000 1.049 340 K CA 1.651 57.960 56.287 0.037 0.000 0.933 340 K CB -0.176 32.327 32.500 0.006 0.000 0.717 340 K HN 0.424 nan 8.250 nan 0.000 0.442 341 D N -0.222 120.228 120.400 0.083 0.000 2.224 341 D HA -0.103 4.563 4.640 0.043 0.000 0.205 341 D C 1.575 178.099 176.300 0.373 0.000 0.965 341 D CA 0.657 54.778 54.000 0.203 0.000 0.852 341 D CB 0.012 40.868 40.800 0.093 0.000 0.947 341 D HN 0.126 nan 8.370 nan 0.000 0.494 342 F N 1.079 121.087 119.950 0.097 0.000 2.325 342 F HA -0.017 4.536 4.527 0.043 0.000 0.299 342 F C 2.144 178.050 175.800 0.176 0.000 1.090 342 F CA 0.748 58.837 58.000 0.148 0.000 1.392 342 F CB -0.005 39.067 39.000 0.121 0.000 1.053 342 F HN -0.117 nan 8.300 nan 0.000 0.521 343 K N 0.125 120.727 120.400 0.337 0.000 2.348 343 K HA 0.080 4.426 4.320 0.043 0.000 0.194 343 K C 0.078 176.795 176.600 0.195 0.000 1.052 343 K CA 0.509 56.933 56.287 0.230 0.000 1.004 343 K CB 0.249 32.852 32.500 0.173 0.000 0.873 343 K HN 0.399 nan 8.250 nan 0.000 0.523 344 E N 0.059 120.390 120.200 0.218 0.000 3.554 344 E HA 0.107 4.483 4.350 0.043 0.000 0.286 344 E C -1.052 175.685 176.600 0.228 0.000 1.173 344 E CA -0.428 56.080 56.400 0.180 0.000 1.117 344 E CB -0.681 29.081 29.700 0.103 0.000 1.323 344 E HN -0.116 nan 8.360 nan 0.000 0.394 345 F N 3.298 123.344 119.950 0.160 0.000 2.472 345 F HA 0.236 4.788 4.527 0.043 0.000 0.364 345 F C 0.418 176.316 175.800 0.163 0.000 1.090 345 F CA -0.203 57.897 58.000 0.167 0.000 1.188 345 F CB 0.890 40.045 39.000 0.259 0.000 1.105 345 F HN 0.184 nan 8.300 nan 0.000 0.536 346 T N 3.678 117.960 114.554 -0.453 0.000 2.889 346 T HA 0.660 5.036 4.350 0.043 0.000 0.291 346 T C -0.658 173.756 174.700 -0.478 0.000 0.995 346 T CA -0.761 61.140 62.100 -0.332 0.000 1.092 346 T CB 1.356 70.123 68.868 -0.168 0.000 0.954 346 T HN 0.415 nan 8.240 nan 0.000 0.506 347 V N 3.303 123.128 119.914 -0.148 0.000 2.482 347 V HA 0.358 4.504 4.120 0.043 0.000 0.295 347 V C -0.250 175.868 176.094 0.041 0.000 1.026 347 V CA -1.165 61.157 62.300 0.037 0.000 0.856 347 V CB 1.417 33.382 31.823 0.237 0.000 1.001 347 V HN 0.983 nan 8.190 nan 0.000 0.424 348 N N 2.676 121.403 118.700 0.045 0.000 2.458 348 N HA 0.537 5.303 4.740 0.043 0.000 0.270 348 N C -0.398 175.129 175.510 0.029 0.000 1.102 348 N CA -0.319 52.746 53.050 0.024 0.000 0.967 348 N CB 1.788 40.286 38.487 0.019 0.000 1.078 348 N HN 0.659 nan 8.380 nan 0.000 0.471 349 V N 0.179 120.107 119.914 0.023 0.000 2.960 349 V HA 0.611 4.757 4.120 0.043 0.000 0.315 349 V C -0.047 176.060 176.094 0.021 0.000 1.087 349 V CA -0.865 61.452 62.300 0.027 0.000 0.982 349 V CB 2.115 33.961 31.823 0.038 0.000 1.039 349 V HN 0.854 nan 8.190 nan 0.000 0.437 350 N N 0.754 119.467 118.700 0.022 0.000 2.143 350 N HA 0.573 5.339 4.740 0.043 0.000 0.229 350 N C 0.110 175.632 175.510 0.020 0.000 1.294 350 N CA 0.472 53.534 53.050 0.019 0.000 0.883 350 N CB 1.344 39.839 38.487 0.014 0.000 1.148 350 N HN 1.474 nan 8.380 nan 0.000 0.511 351 G N -0.847 107.968 108.800 0.026 0.000 2.325 351 G HA2 0.458 4.444 3.960 0.043 0.000 0.295 351 G HA3 0.458 4.444 3.960 0.043 0.000 0.295 351 G C -1.686 173.234 174.900 0.033 0.000 1.274 351 G CA -0.075 45.040 45.100 0.026 0.000 0.857 351 G HN 0.570 nan 8.290 nan 0.000 0.499 352 T N -2.368 112.206 114.554 0.032 0.000 2.812 352 T HA 0.689 5.065 4.350 0.043 0.000 0.294 352 T C -0.212 174.506 174.700 0.031 0.000 1.159 352 T CA -0.524 61.600 62.100 0.040 0.000 1.008 352 T CB 1.830 70.727 68.868 0.049 0.000 1.289 352 T HN 0.677 nan 8.240 nan 0.000 0.514 353 Q N 0.945 120.768 119.800 0.039 0.000 2.535 353 Q HA 0.419 4.785 4.340 0.043 0.000 0.228 353 Q C 0.722 176.737 176.000 0.025 0.000 1.062 353 Q CA -0.488 55.332 55.803 0.029 0.000 0.967 353 Q CB 0.474 29.238 28.738 0.044 0.000 1.273 353 Q HN 0.884 nan 8.270 nan 0.000 0.554 354 S N -0.454 115.255 115.700 0.014 0.000 2.655 354 S HA 0.184 4.680 4.470 0.043 0.000 0.265 354 S C 1.119 175.724 174.600 0.009 0.000 1.240 354 S CA -0.572 57.633 58.200 0.008 0.000 0.986 354 S CB 0.359 63.558 63.200 -0.001 0.000 0.985 354 S HN 0.581 nan 8.310 nan 0.000 0.562 355 I N 0.695 121.263 120.570 -0.003 0.000 2.286 355 I HA -0.150 4.046 4.170 0.043 0.000 0.248 355 I C 2.783 178.893 176.117 -0.011 0.000 1.115 355 I CA 1.725 63.014 61.300 -0.018 0.000 1.392 355 I CB -0.553 37.424 38.000 -0.038 0.000 1.065 355 I HN 0.925 nan 8.210 nan 0.000 0.418 356 E N 2.040 122.237 120.200 -0.005 0.000 2.130 356 E HA -0.267 4.109 4.350 0.043 0.000 0.196 356 E C 1.727 178.334 176.600 0.011 0.000 0.998 356 E CA 1.498 57.898 56.400 -0.001 0.000 0.806 356 E CB 0.053 29.753 29.700 -0.000 0.000 0.738 356 E HN 0.470 nan 8.360 nan 0.000 0.459 357 K N -0.061 120.351 120.400 0.020 0.000 2.404 357 K HA 0.227 4.573 4.320 0.043 0.000 0.194 357 K C 0.214 176.849 176.600 0.058 0.000 1.023 357 K CA 0.054 56.363 56.287 0.038 0.000 1.094 357 K CB 0.831 33.355 32.500 0.039 0.000 0.841 357 K HN 0.089 nan 8.250 nan 0.000 0.523 358 A N 0.524 123.373 122.820 0.049 0.000 2.304 358 A HA 0.158 4.504 4.320 0.043 0.000 0.271 358 A C 0.638 178.301 177.584 0.132 0.000 1.091 358 A CA -0.453 51.633 52.037 0.082 0.000 0.812 358 A CB 0.108 19.129 19.000 0.035 0.000 1.056 358 A HN 0.245 nan 8.150 nan 0.000 0.489 359 F N 1.889 121.845 119.950 0.009 0.000 2.051 359 F HA 0.081 4.631 4.527 0.038 0.000 0.296 359 F C 0.552 176.356 175.800 0.006 0.000 1.122 359 F CA 1.827 59.840 58.000 0.023 0.000 1.201 359 F CB -0.062 38.968 39.000 0.050 0.000 0.978 359 F HN 0.229 nan 8.300 nan 0.000 0.472 360 V N 0.072 119.908 119.914 -0.129 0.000 2.925 360 V HA 0.265 4.411 4.120 0.043 0.000 0.311 360 V C -0.475 175.497 176.094 -0.203 0.000 1.104 360 V CA -0.969 61.167 62.300 -0.273 0.000 0.954 360 V CB 1.938 33.556 31.823 -0.342 0.000 1.022 360 V HN 0.064 nan 8.190 nan 0.000 0.427 361 T N 3.135 117.553 114.554 -0.227 0.000 2.794 361 T HA 0.443 4.819 4.350 0.043 0.000 0.296 361 T C 0.471 174.854 174.700 -0.528 0.000 0.949 361 T CA 0.111 62.025 62.100 -0.310 0.000 1.101 361 T CB 0.979 69.741 68.868 -0.177 0.000 0.905 361 T HN 0.964 nan 8.240 nan 0.000 0.516 362 G N 1.342 109.521 108.800 -1.036 0.000 2.420 362 G HA2 0.592 4.578 3.960 0.043 0.000 0.284 362 G HA3 0.592 4.578 3.960 0.043 0.000 0.284 362 G C 0.443 174.621 174.900 -1.203 0.000 1.177 362 G CA 0.107 44.160 45.100 -1.745 0.000 0.841 362 G HN 1.084 nan 8.290 nan 0.000 0.527 363 G N -0.693 107.773 108.800 -0.556 0.000 2.728 363 G HA2 0.554 4.540 3.960 0.043 0.000 0.294 363 G HA3 0.554 4.540 3.960 0.043 0.000 0.294 363 G C 0.405 175.178 174.900 -0.212 0.000 1.342 363 G CA 0.336 45.317 45.100 -0.199 0.000 0.866 363 G HN 2.775 nan 8.290 nan 0.000 0.534 364 G N -2.939 105.728 108.800 -0.221 0.000 2.278 364 G HA2 0.442 4.428 3.960 0.043 0.000 0.265 364 G HA3 0.442 4.428 3.960 0.043 0.000 0.265 364 G C -0.297 174.520 174.900 -0.140 0.000 1.329 364 G CA 0.383 45.386 45.100 -0.161 0.000 1.017 364 G HN 1.998 nan 8.290 nan 0.000 0.472 365 V N 1.423 121.270 119.914 -0.112 0.000 2.540 365 V HA 0.401 4.547 4.120 0.043 0.000 0.297 365 V C 1.494 177.427 176.094 -0.267 0.000 1.024 365 V CA 0.886 63.028 62.300 -0.263 0.000 1.105 365 V CB 1.010 32.463 31.823 -0.616 0.000 0.938 365 V HN 1.279 nan 8.190 nan 0.000 0.482 366 S N 4.194 119.788 115.700 -0.178 0.000 2.525 366 S HA 0.055 4.551 4.470 0.043 0.000 0.285 366 S C 1.168 175.626 174.600 -0.236 0.000 1.283 366 S CA -0.185 57.925 58.200 -0.150 0.000 1.072 366 S CB 1.089 64.258 63.200 -0.052 0.000 0.867 366 S HN 0.941 nan 8.310 nan 0.000 0.492 367 V N 3.468 123.178 119.914 -0.341 0.000 2.970 367 V HA 0.106 4.253 4.120 0.043 0.000 0.260 367 V C 2.019 177.925 176.094 -0.313 0.000 1.100 367 V CA 1.117 63.062 62.300 -0.592 0.000 1.122 367 V CB -0.846 30.267 31.823 -1.185 0.000 0.721 367 V HN 0.705 nan 8.190 nan 0.000 0.483 368 K N 1.415 121.725 120.400 -0.151 0.000 2.281 368 K HA -0.074 4.272 4.320 0.043 0.000 0.203 368 K C 1.813 178.380 176.600 -0.056 0.000 1.046 368 K CA 1.579 57.837 56.287 -0.047 0.000 0.938 368 K CB -0.366 32.126 32.500 -0.015 0.000 0.737 368 K HN 0.779 nan 8.250 nan 0.000 0.458 369 E N -0.266 119.880 120.200 -0.090 0.000 2.465 369 E HA 0.094 4.470 4.350 0.043 0.000 0.195 369 E C -0.326 176.180 176.600 -0.157 0.000 1.028 369 E CA -0.053 56.225 56.400 -0.203 0.000 0.899 369 E CB 0.485 30.149 29.700 -0.060 0.000 1.032 369 E HN 0.045 nan 8.360 nan 0.000 0.468 370 I N 1.671 122.209 120.570 -0.054 0.000 2.509 370 I HA 0.190 4.386 4.170 0.043 0.000 0.293 370 I C -0.233 175.983 176.117 0.165 0.000 1.020 370 I CA -1.000 60.336 61.300 0.060 0.000 1.088 370 I CB 1.561 39.594 38.000 0.055 0.000 1.267 370 I HN -0.066 nan 8.210 nan 0.000 0.430 371 N N 7.995 126.778 118.700 0.140 0.000 2.405 371 N HA 0.140 4.907 4.740 0.043 0.000 0.260 371 N C -1.750 173.849 175.510 0.147 0.000 1.152 371 N CA -1.155 51.970 53.050 0.124 0.000 0.948 371 N CB 1.063 39.596 38.487 0.077 0.000 1.111 371 N HN 0.302 nan 8.380 nan 0.000 0.485 372 P HA -0.107 nan 4.420 nan 0.000 0.219 372 P C 0.700 177.871 177.300 -0.215 0.000 1.146 372 P CA 1.343 64.281 63.100 -0.271 0.000 0.808 372 P CB 0.411 31.856 31.700 -0.425 0.000 0.779 373 K N -0.766 119.589 120.400 -0.075 0.000 2.400 373 K HA 0.042 4.388 4.320 0.043 0.000 0.194 373 K C 1.507 178.109 176.600 0.003 0.000 1.033 373 K CA 0.660 56.920 56.287 -0.045 0.000 1.021 373 K CB 0.217 32.706 32.500 -0.018 0.000 0.808 373 K HN 0.236 nan 8.250 nan 0.000 0.505 374 E N -0.666 119.565 120.200 0.052 0.000 2.500 374 E HA 0.157 4.533 4.350 0.043 0.000 0.217 374 E C -0.041 176.673 176.600 0.190 0.000 0.848 374 E CA -0.019 56.450 56.400 0.115 0.000 1.217 374 E CB 0.719 30.511 29.700 0.154 0.000 1.217 374 E HN 0.004 nan 8.360 nan 0.000 0.573 375 M N 0.697 120.419 119.600 0.203 0.000 2.818 375 M HA -0.164 4.342 4.480 0.043 0.000 0.194 375 M C -0.100 176.410 176.300 0.351 0.000 0.586 375 M CA 0.871 56.344 55.300 0.287 0.000 0.664 375 M CB -3.046 29.699 32.600 0.242 0.000 2.418 375 M HN 0.103 nan 8.290 nan 0.000 0.517 376 S N -1.154 114.717 115.700 0.285 0.000 2.585 376 S HA 0.581 5.077 4.470 0.043 0.000 0.277 376 S C 0.509 175.171 174.600 0.103 0.000 1.241 376 S CA -0.226 58.050 58.200 0.127 0.000 1.041 376 S CB 2.429 65.669 63.200 0.068 0.000 0.987 376 S HN 0.392 nan 8.310 nan 0.000 0.512 377 S N 0.884 116.633 115.700 0.082 0.000 2.549 377 S HA 0.119 4.615 4.470 0.043 0.000 0.286 377 S C 0.927 175.511 174.600 -0.026 0.000 1.314 377 S CA -0.390 57.931 58.200 0.200 0.000 1.062 377 S CB 0.155 63.568 63.200 0.354 0.000 0.865 377 S HN 0.771 nan 8.310 nan 0.000 0.498 378 K N 3.223 123.481 120.400 -0.237 0.000 2.432 378 K HA 0.054 4.401 4.320 0.043 0.000 0.196 378 K C 0.740 177.101 176.600 -0.398 0.000 1.038 378 K CA 1.009 57.054 56.287 -0.402 0.000 0.986 378 K CB 0.016 32.163 32.500 -0.589 0.000 0.782 378 K HN 0.727 nan 8.250 nan 0.000 0.485 379 F N -0.503 119.390 119.950 -0.096 0.000 2.500 379 F HA 0.092 4.646 4.527 0.044 0.000 0.285 379 F C 0.814 176.541 175.800 -0.121 0.000 1.088 379 F CA -0.215 57.686 58.000 -0.164 0.000 1.432 379 F CB 0.733 39.527 39.000 -0.343 0.000 1.131 379 F HN -0.292 nan 8.300 nan 0.000 0.582 380 T N 1.280 115.875 114.554 0.069 0.000 2.841 380 T HA 0.256 4.632 4.350 0.043 0.000 0.285 380 T C -0.554 174.119 174.700 -0.045 0.000 0.991 380 T CA -0.764 61.322 62.100 -0.023 0.000 0.966 380 T CB 1.073 69.853 68.868 -0.148 0.000 0.962 380 T HN -0.145 nan 8.240 nan 0.000 0.438 381 N N 1.356 120.028 118.700 -0.048 0.000 2.479 381 N HA 0.338 5.104 4.740 0.043 0.000 0.257 381 N C 1.347 176.773 175.510 -0.141 0.000 1.232 381 N CA 1.095 54.096 53.050 -0.081 0.000 0.920 381 N CB 0.615 39.077 38.487 -0.043 0.000 1.105 381 N HN 1.056 nan 8.380 nan 0.000 0.444 382 G N -0.220 108.442 108.800 -0.230 0.000 2.160 382 G HA2 -0.248 3.739 3.960 0.043 0.000 0.251 382 G HA3 -0.248 3.739 3.960 0.043 0.000 0.251 382 G C -0.440 174.281 174.900 -0.298 0.000 1.008 382 G CA 0.205 45.147 45.100 -0.264 0.000 0.724 382 G HN 0.506 nan 8.290 nan 0.000 0.514 383 L N 0.117 121.010 121.223 -0.551 0.000 2.362 383 L HA 0.889 5.255 4.340 0.043 0.000 0.275 383 L C -0.827 175.594 176.870 -0.749 0.000 0.998 383 L CA -1.832 52.746 54.840 -0.435 0.000 0.820 383 L CB 1.287 43.247 42.059 -0.165 0.000 1.270 383 L HN 0.137 nan 8.230 nan 0.000 0.415 384 Y N 3.832 124.007 120.300 -0.208 0.000 2.553 384 Y HA 0.706 5.282 4.550 0.042 0.000 0.347 384 Y C -0.968 174.745 175.900 -0.311 0.000 1.019 384 Y CA -0.694 57.344 58.100 -0.103 0.000 1.032 384 Y CB 2.037 40.486 38.460 -0.019 0.000 1.284 384 Y HN 0.392 nan 8.280 nan 0.000 0.466 385 F N 1.018 121.067 119.950 0.166 0.000 2.599 385 F HA 0.752 5.306 4.527 0.045 0.000 0.311 385 F C -0.414 175.437 175.800 0.084 0.000 1.076 385 F CA -0.909 57.141 58.000 0.084 0.000 0.937 385 F CB 2.079 41.077 39.000 -0.004 0.000 1.282 385 F HN 0.731 nan 8.300 nan 0.000 0.460 386 C N -0.064 119.388 119.300 0.253 0.000 3.312 386 C HA 0.949 5.435 4.460 0.043 0.000 0.332 386 C C 0.158 175.214 174.990 0.111 0.000 1.340 386 C CA -0.575 58.537 59.018 0.156 0.000 1.265 386 C CB 1.079 28.879 27.740 0.100 0.000 1.563 386 C HN 1.750 nan 8.230 nan 0.000 0.471 387 G N 0.629 109.477 108.800 0.080 0.000 2.598 387 G HA2 -0.204 3.782 3.960 0.043 0.000 0.244 387 G HA3 -0.204 3.782 3.960 0.043 0.000 0.244 387 G C 0.433 175.353 174.900 0.034 0.000 1.302 387 G CA 0.834 45.963 45.100 0.049 0.000 0.903 387 G HN 1.457 nan 8.290 nan 0.000 0.575 388 E N -0.847 119.355 120.200 0.004 0.000 2.418 388 E HA 0.095 4.471 4.350 0.043 0.000 0.197 388 E C 2.526 179.126 176.600 -0.000 0.000 1.026 388 E CA 1.052 57.442 56.400 -0.016 0.000 0.862 388 E CB -0.045 29.622 29.700 -0.055 0.000 0.799 388 E HN 0.597 nan 8.360 nan 0.000 0.518 389 V N 0.860 120.780 119.914 0.008 0.000 2.469 389 V HA -0.140 4.006 4.120 0.043 0.000 0.251 389 V C 1.052 177.182 176.094 0.059 0.000 1.064 389 V CA 0.928 63.246 62.300 0.031 0.000 1.066 389 V CB -0.163 31.667 31.823 0.012 0.000 0.667 389 V HN 0.166 nan 8.190 nan 0.000 0.461 390 L N 0.676 121.899 121.223 -0.001 0.000 2.452 390 L HA 0.154 4.520 4.340 0.043 0.000 0.267 390 L C 0.647 177.465 176.870 -0.085 0.000 1.188 390 L CA 0.127 54.910 54.840 -0.096 0.000 0.821 390 L CB -0.012 41.987 42.059 -0.100 0.000 1.102 390 L HN 0.121 nan 8.230 nan 0.000 0.470 391 D N 2.829 123.145 120.400 -0.139 0.000 2.767 391 D HA 0.262 4.928 4.640 0.043 0.000 0.231 391 D C -0.572 175.693 176.300 -0.058 0.000 1.105 391 D CA 0.256 54.202 54.000 -0.091 0.000 1.024 391 D CB -0.462 40.279 40.800 -0.099 0.000 1.123 391 D HN 0.217 nan 8.370 nan 0.000 0.470 392 I N 2.764 123.321 120.570 -0.021 0.000 2.533 392 I HA 0.341 4.537 4.170 0.043 0.000 0.290 392 I C -0.430 175.730 176.117 0.072 0.000 1.056 392 I CA -0.953 60.348 61.300 0.001 0.000 1.057 392 I CB 2.014 40.016 38.000 0.004 0.000 1.240 392 I HN 0.232 nan 8.210 nan 0.000 0.423 393 H N 3.381 122.421 119.070 -0.051 0.000 3.046 393 H HA 0.707 5.297 4.556 0.057 0.000 0.363 393 H C -1.429 173.872 175.328 -0.044 0.000 1.203 393 H CA -0.929 55.086 56.048 -0.055 0.000 1.169 393 H CB 1.799 31.498 29.762 -0.105 0.000 1.851 393 H HN 0.665 nan 8.280 nan 0.000 0.546 394 G N 1.034 109.869 108.800 0.057 0.000 2.473 394 G HA2 0.427 4.413 3.960 0.043 0.000 0.321 394 G HA3 0.427 4.413 3.960 0.043 0.000 0.321 394 G C -1.124 173.910 174.900 0.224 0.000 1.200 394 G CA -0.817 44.316 45.100 0.056 0.000 0.963 394 G HN 0.536 nan 8.290 nan 0.000 0.483 395 Y N -0.106 120.342 120.300 0.247 0.000 2.279 395 Y HA 0.233 4.789 4.550 0.009 0.000 0.350 395 Y C 1.943 178.103 175.900 0.434 0.000 1.288 395 Y CA -0.015 58.260 58.100 0.291 0.000 1.547 395 Y CB 0.643 39.215 38.460 0.186 0.000 1.381 395 Y HN 0.589 nan 8.280 nan 0.000 0.630 396 T N -1.418 113.389 114.554 0.422 0.000 2.903 396 T HA 0.392 4.768 4.350 0.043 0.000 0.314 396 T C 0.862 175.787 174.700 0.375 0.000 1.078 396 T CA 0.163 62.406 62.100 0.239 0.000 1.114 396 T CB 0.840 69.657 68.868 -0.085 0.000 0.987 396 T HN 1.090 nan 8.240 nan 0.000 0.548 397 G N -0.352 108.566 108.800 0.197 0.000 2.234 397 G HA2 0.370 4.356 3.960 0.043 0.000 0.153 397 G HA3 0.370 4.356 3.960 0.043 0.000 0.153 397 G C 0.789 175.425 174.900 -0.440 0.000 1.013 397 G CA 0.244 45.325 45.100 -0.032 0.000 0.712 397 G HN 2.217 nan 8.290 nan 0.000 0.491 398 G N -1.264 107.380 108.800 -0.261 0.000 2.184 398 G HA2 -0.239 3.747 3.960 0.043 0.000 0.206 398 G HA3 -0.239 3.747 3.960 0.043 0.000 0.206 398 G C 0.840 175.584 174.900 -0.260 0.000 0.995 398 G CA 0.727 45.624 45.100 -0.338 0.000 0.651 398 G HN 0.833 nan 8.290 nan 0.000 0.511 399 Y N 0.907 121.261 120.300 0.091 0.000 2.286 399 Y HA 0.072 4.670 4.550 0.081 0.000 0.293 399 Y C 2.689 178.650 175.900 0.102 0.000 1.124 399 Y CA 1.388 59.550 58.100 0.103 0.000 1.178 399 Y CB -0.123 38.425 38.460 0.146 0.000 1.010 399 Y HN 0.256 nan 8.280 nan 0.000 0.536 400 N N 0.380 119.215 118.700 0.225 0.000 2.171 400 N HA -0.113 4.654 4.740 0.043 0.000 0.184 400 N C 1.785 177.334 175.510 0.066 0.000 1.021 400 N CA 1.363 54.480 53.050 0.111 0.000 0.854 400 N CB -0.169 38.319 38.487 0.001 0.000 0.994 400 N HN 0.356 nan 8.380 nan 0.000 0.426 401 I N 1.036 121.631 120.570 0.043 0.000 2.315 401 I HA -0.184 4.012 4.170 0.043 0.000 0.248 401 I C 2.038 178.201 176.117 0.077 0.000 1.117 401 I CA 0.829 62.151 61.300 0.036 0.000 1.404 401 I CB -0.451 37.547 38.000 -0.003 0.000 1.071 401 I HN 0.065 nan 8.210 nan 0.000 0.419 402 T N -0.125 114.477 114.554 0.080 0.000 2.635 402 T HA -0.266 4.110 4.350 0.043 0.000 0.267 402 T C 2.119 176.949 174.700 0.217 0.000 1.040 402 T CA 2.171 64.353 62.100 0.136 0.000 1.156 402 T CB -0.370 68.575 68.868 0.128 0.000 0.863 402 T HN 0.319 nan 8.240 nan 0.000 0.430 403 S N 0.635 116.463 115.700 0.214 0.000 2.368 403 S HA -0.085 4.411 4.470 0.043 0.000 0.225 403 S C 2.368 177.043 174.600 0.125 0.000 1.030 403 S CA 1.392 59.700 58.200 0.180 0.000 0.999 403 S CB -0.573 62.712 63.200 0.141 0.000 0.844 403 S HN 0.528 nan 8.310 nan 0.000 0.459 404 A N 1.372 124.251 122.820 0.098 0.000 1.877 404 A HA 0.044 4.390 4.320 0.043 0.000 0.216 404 A C 2.222 179.849 177.584 0.072 0.000 1.186 404 A CA 1.454 53.533 52.037 0.070 0.000 0.620 404 A CB -0.806 18.223 19.000 0.047 0.000 0.822 404 A HN 0.572 nan 8.150 nan 0.000 0.443 405 L N -0.705 120.577 121.223 0.099 0.000 2.046 405 L HA -0.155 4.211 4.340 0.043 0.000 0.208 405 L C 2.562 179.482 176.870 0.084 0.000 1.077 405 L CA 1.097 55.989 54.840 0.087 0.000 0.747 405 L CB -0.619 41.536 42.059 0.160 0.000 0.896 405 L HN 0.252 nan 8.230 nan 0.000 0.432 406 V N -0.031 119.998 119.914 0.192 0.000 2.244 406 V HA -0.286 3.860 4.120 0.043 0.000 0.244 406 V C 2.787 178.928 176.094 0.078 0.000 1.042 406 V CA 2.432 64.880 62.300 0.246 0.000 1.006 406 V CB -0.959 31.065 31.823 0.334 0.000 0.641 406 V HN 0.679 nan 8.190 nan 0.000 0.446 407 T N -1.220 113.372 114.554 0.064 0.000 2.759 407 T HA -0.128 4.248 4.350 0.043 0.000 0.269 407 T C 1.932 176.646 174.700 0.022 0.000 1.042 407 T CA 1.678 63.809 62.100 0.053 0.000 1.140 407 T CB -0.896 68.032 68.868 0.102 0.000 0.864 407 T HN 0.490 nan 8.240 nan 0.000 0.455 408 G N 1.196 109.995 108.800 -0.001 0.000 2.402 408 G HA2 -0.175 3.811 3.960 0.043 0.000 0.216 408 G HA3 -0.175 3.811 3.960 0.043 0.000 0.216 408 G C 1.741 176.569 174.900 -0.119 0.000 1.162 408 G CA 0.659 45.735 45.100 -0.040 0.000 0.777 408 G HN 0.566 nan 8.290 nan 0.000 0.539 409 R N -0.181 120.197 120.500 -0.203 0.000 2.081 409 R HA -0.049 4.317 4.340 0.043 0.000 0.235 409 R C 2.474 178.623 176.300 -0.251 0.000 1.131 409 R CA 1.216 57.107 56.100 -0.348 0.000 0.960 409 R CB -0.232 29.631 30.300 -0.728 0.000 0.856 409 R HN 0.277 nan 8.270 nan 0.000 0.436 410 I N 1.012 121.486 120.570 -0.160 0.000 2.179 410 I HA -0.182 4.015 4.170 0.043 0.000 0.242 410 I C 2.526 178.589 176.117 -0.090 0.000 1.088 410 I CA 1.544 62.785 61.300 -0.098 0.000 1.357 410 I CB -1.688 36.289 38.000 -0.038 0.000 1.051 410 I HN 0.279 nan 8.210 nan 0.000 0.409 411 A N 1.032 123.816 122.820 -0.060 0.000 1.908 411 A HA -0.131 4.215 4.320 0.043 0.000 0.218 411 A C 2.522 179.954 177.584 -0.254 0.000 1.181 411 A CA 2.095 54.086 52.037 -0.077 0.000 0.627 411 A CB -1.385 17.633 19.000 0.029 0.000 0.818 411 A HN 0.440 nan 8.150 nan 0.000 0.445 412 G N -1.238 107.442 108.800 -0.201 0.000 2.414 412 G HA2 -0.125 3.861 3.960 0.043 0.000 0.215 412 G HA3 -0.125 3.861 3.960 0.043 0.000 0.215 412 G C 1.594 176.355 174.900 -0.232 0.000 1.188 412 G CA 1.643 46.612 45.100 -0.218 0.000 0.783 412 G HN 0.422 nan 8.290 nan 0.000 0.537 413 T N 1.258 115.692 114.554 -0.199 0.000 2.635 413 T HA -0.184 4.192 4.350 0.043 0.000 0.267 413 T C 2.617 177.208 174.700 -0.180 0.000 1.040 413 T CA 2.053 64.052 62.100 -0.168 0.000 1.156 413 T CB -0.774 68.008 68.868 -0.143 0.000 0.863 413 T HN 0.319 nan 8.240 nan 0.000 0.430 414 T N 2.004 116.440 114.554 -0.197 0.000 2.684 414 T HA -0.050 4.326 4.350 0.043 0.000 0.267 414 T C 2.406 176.919 174.700 -0.311 0.000 1.036 414 T CA 1.241 63.235 62.100 -0.176 0.000 1.148 414 T CB -0.676 68.146 68.868 -0.077 0.000 0.863 414 T HN 0.456 nan 8.240 nan 0.000 0.436 415 A N 1.528 123.962 122.820 -0.643 0.000 1.883 415 A HA 0.063 4.409 4.320 0.043 0.000 0.217 415 A C 2.663 180.006 177.584 -0.401 0.000 1.186 415 A CA 1.985 53.612 52.037 -0.685 0.000 0.624 415 A CB -1.456 17.092 19.000 -0.754 0.000 0.822 415 A HN 0.520 nan 8.150 nan 0.000 0.444 416 G N -0.735 107.890 108.800 -0.292 0.000 2.418 416 G HA2 -0.201 3.785 3.960 0.043 0.000 0.217 416 G HA3 -0.201 3.785 3.960 0.043 0.000 0.217 416 G C 1.446 176.236 174.900 -0.184 0.000 1.158 416 G CA 1.024 45.999 45.100 -0.208 0.000 0.771 416 G HN 0.652 nan 8.290 nan 0.000 0.545 417 E N 0.603 120.709 120.200 -0.157 0.000 2.031 417 E HA -0.142 4.234 4.350 0.043 0.000 0.193 417 E C 2.544 179.083 176.600 -0.103 0.000 0.994 417 E CA 1.081 57.419 56.400 -0.103 0.000 0.800 417 E CB -0.074 29.585 29.700 -0.069 0.000 0.752 417 E HN 0.254 nan 8.360 nan 0.000 0.447 418 N N 0.692 119.321 118.700 -0.118 0.000 2.104 418 N HA -0.149 4.617 4.740 0.043 0.000 0.190 418 N C 1.618 177.015 175.510 -0.189 0.000 1.024 418 N CA 1.319 54.335 53.050 -0.056 0.000 0.853 418 N CB -0.427 38.140 38.487 0.134 0.000 1.008 418 N HN 0.143 nan 8.380 nan 0.000 0.424 419 A N 1.385 123.895 122.820 -0.516 0.000 2.019 419 A HA -0.140 4.206 4.320 0.043 0.000 0.219 419 A C 1.239 178.743 177.584 -0.134 0.000 1.164 419 A CA 0.910 52.666 52.037 -0.469 0.000 0.644 419 A CB -0.406 18.303 19.000 -0.485 0.000 0.805 419 A HN 0.541 nan 8.150 nan 0.000 0.449 420 K N 0.000 120.336 120.400 -0.107 0.000 2.780 420 K HA 0.000 4.346 4.320 0.043 0.000 0.191 420 K CA 0.000 56.257 56.287 -0.050 0.000 0.838 420 K CB 0.000 32.470 32.500 -0.050 0.000 1.064 420 K HN 0.000 nan 8.250 nan 0.000 0.543